Compound_ID
stringclasses 25
values | SMILES
stringclasses 25
values | R1_10uM
float64 0.03
0.07
| R2_10uM
float64 0.03
0.07
| Mean_10uM
float64 0.03
0.07
|
|---|---|---|---|---|
BRD-K01826531 | CN1CCC[C@@H](CC2c3ccccc3Sc3ccccc32)C1 | 0.058559 | 0.059541 | 0.05905 |
BRD-K66433595 | NCc1cn(nc1C12CC3CC(CC(C3)C2)C1)-c1ccccc1 | 0.058685 | 0.062335 | 0.06051 |
BRD-K22127577 | CC1(COC1)COc1ccc2n(cnc2c1)-c1ccc2cccc(c2n1)N1CCC(N)CC1 | 0.060451 | 0.062973 | 0.061712 |
BRD-K95435023 | Cc1[nH]c(c(c1C(=O)N1CCC[C@@H]1CN1CCCC1)C)/C=C/1\C(=O)Nc2ccc(cc21)S(=O)(=O)Cc1c(cccc1Cl)Cl | 0.0613 | 0.065214 | 0.063257 |
BRD-K69694239 | COC(=O)[C@@]12CCC(C)(C)C[C@H]2[C@H]2C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(=C[C@@]43C)C#N)[C@]2(C)CC1 | 0.063381 | 0.064075 | 0.063728 |
BRD-K97764662 | CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)-c1cc(cc(c1)OC)OC | 0.065686 | 0.063883 | 0.064785 |
BRD-K59437938 | COC(=O)[C@]12CCC(C)(C)C[C@@H]2[C@@H]2C(=O)C=C3[C@](C)(CC[C@@H]4C(C)(C)C(=O)C(=C[C@]43C)C#N)[C@@]2(C)CC1 | 0.06214 | 0.069449 | 0.065795 |
BRD-K47546584 | Cc1ccc(cc1)S(=O)(=O)N(c1cccc(c1)-n1cc(nn1)CCC(=O)NO)S(=O)(=O)c1ccc(cc1)C | 0.066595 | 0.065064 | 0.06583 |
BRD-K00003362 | COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 | 0.06562 | 0.066585 | 0.066102 |
BRD-K00003205 | COc1ccc2c(c1)N(CCN)C(=O)N2C(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C | 0.065694 | 0.066835 | 0.066265 |
BRD-K00003510 | CCCNc1nc(ncc1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C)Nc1ccc(cc1)C#N | 0.06699 | 0.066023 | 0.066507 |
BRD-K82051706 | C[C@@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(ccc2O1)NC(=O)Nc1ccc(cc1)C(F)(F)F | 0.067375 | 0.067051 | 0.067213 |
BRD-K00004676 | COCCN1CCC(CC1)N(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)CN1C(=CC(=O)c2ccccc21)SCc1cccc(c1F)F | 0.067896 | 0.066846 | 0.067371 |
BRD-K33457401 | OCC(Br)(CO)[N+](=O)[O-] | 0.032253 | 0.030853 | 0.031553 |
BRD-K00003375 | CC1=C(C)C(=O)C(=CC1=O)CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 | 0.033908 | 0.033539 | 0.033723 |
BRD-K02596081 | COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(cc1)Cl)C[C@]13CCN(CC1)Cc1ccccc1 | 0.034939 | 0.033662 | 0.034301 |
CHLOROTHALONIL | N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl | 0.034461 | 0.034623 | 0.034542 |
BRD-K00004676 | COCCN1CCC(CC1)N(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)CN1C(=CC(=O)c2ccccc21)SCc1cccc(c1F)F | 0.034476 | 0.035103 | 0.034789 |
BRD-K95435023 | Cc1[nH]c(c(c1C(=O)N1CCC[C@@H]1CN1CCCC1)C)/C=C/1\C(=O)Nc2ccc(cc21)S(=O)(=O)Cc1c(cccc1Cl)Cl | 0.036244 | 0.034228 | 0.035236 |
BRD-K05524748 | CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(oc2ccc(cc12)NS(=O)(=O)C)CCCC | 0.03559 | 0.035459 | 0.035525 |
BRD-K67340225 | C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O | 0.03601 | 0.036819 | 0.036414 |
BRD-K06749501 | CNC(=O)c1c(cccc1Nc1nc(nc2[nH]ccc12)Nc1cc2c(cc1OC)CCN2C(=O)CN(C)C)F | 0.036928 | 0.03608 | 0.036504 |
BRD-K19085898 | CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)CN1C(=NC(=O)C2=C1CCC2)SCc1ccc(cc1)F | 0.037613 | 0.035703 | 0.036658 |
BRD-K13387373 | CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(cc1)OC)c1ncccn1 | 0.038221 | 0.035461 | 0.036841 |
BRD-K00003549 | CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@H]/1[C@@H](C)/C=C/C=C/2\CO[C@@H]3/C(=N\O)C(=C[C@@H](C(=O)O[C@H]4C[C@@H](C\C=C1/C)O[C@@]1(CC[C@H](C)[C@H](O1)C1CCCCC1)C4)[C@@]32O)C | 0.037423 | 0.036532 | 0.036977 |
BRD-K47079459 | CCCCCCCCCCCCCCCC[N+](C)(C)C | 0.0376 | 0.036369 | 0.036984 |
BRD-K00003660 | CO/N=C/1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C/4\CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O3)[C@@]54O)C)O2)O[C@@H]([C@H]1C)/C(=C/C(C)C)C | 0.036723 | 0.037353 | 0.037038 |
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