Compile Data Set for Download or QSAR

Found 720 hits with Last Name = 'kelly' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514220 (CHEMBL4535151 | US11274105, Example 188) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCC(=O)N(C)C)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:15| Show InChI InChI=1S/C39H52ClN5O8S/c1-42(2)36(47)23-52-33-10-6-7-18-44(5)35(46)21-39(49,37(48)41-54(50,51)43(3)4)28-12-16-34-32(20-28)45(22-27-11-14-30(27)33)24-38(25-53-34)17-8-9-26-19-29(40)13-15-31(26)38/h6,10,12-13,15-16,19-20,27,30,33,49H,7-9,11,14,17-18,21-25H2,1-5H3,(H,41,48)/b10-6+/t27-,30+,33-,38-,39+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514222 (CHEMBL4580244 | US11274105, Example 193) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCS(=O)(=O)CC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:20| Show InChI InChI=1S/C41H56ClN5O9S2/c1-44(2)58(53,54)43-39(49)41(50)25-38(48)45(3)16-5-4-8-36(55-20-17-46-18-21-57(51,52)22-19-46)33-12-9-30(33)26-47-27-40(28-56-37-14-10-31(41)24-35(37)47)15-6-7-29-23-32(42)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,50H,5-7,9,12,15-22,25-28H2,1-3H3,(H,43,49)/b8-4+/t30-,33+,36-,40-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514203 (CHEMBL4593361 | US11274105, Example 6) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(C)(=O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C35H44ClN3O7S/c1-38-16-5-4-8-30(45-2)27-12-9-24(27)20-39-21-34(15-6-7-23-17-26(36)11-13-28(23)34)22-46-31-14-10-25(18-29(31)39)35(42,19-32(38)40)33(41)37-47(3,43)44/h4,8,10-11,13-14,17-18,24,27,30,42H,5-7,9,12,15-16,19-22H2,1-3H3,(H,37,41)/b8-4+/t24-,27+,30-,34-,35+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514196 (CHEMBL4476472) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9| Show InChI InChI=1S/C32H39ClN2O5S/c1-20-5-3-7-29(36)26-11-8-24(26)17-35-18-32(14-4-6-22-15-25(33)10-12-27(22)32)19-40-30-13-9-23(16-28(30)35)31(37)34-41(38,39)21(20)2/h3,7,9-10,12-13,15-16,20-21,24,26,29,36H,4-6,8,11,14,17-19H2,1-2H3,(H,34,37)/b7-3+/t20-,21+,24-,26+,29-,32-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514202 (CHEMBL4446369 | US11274105, Example 179) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(F)(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C40H52ClF2N5O7S/c1-45(2)56(52,53)44-37(50)40(51)21-36(49)46(3)16-5-4-8-34(54-18-17-47-24-39(42,43)25-47)31-12-9-28(31)22-48-23-38(26-55-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38/h4,8,10-11,13-14,19-20,28,31,34,51H,5-7,9,12,15-18,21-26H2,1-3H3,(H,44,50)/b8-4+/t28-,31+,34-,38-,40+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514199 (CHEMBL4553660 | US11274105, Example 182) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCOCC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C41H56ClN5O8S/c1-44(2)56(51,52)43-39(49)41(50)25-38(48)45(3)16-5-4-8-36(54-22-19-46-17-20-53-21-18-46)33-12-9-30(33)26-47-27-40(28-55-37-14-10-31(41)24-35(37)47)15-6-7-29-23-32(42)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,50H,5-7,9,12,15-22,25-28H2,1-3H3,(H,43,49)/b8-4+/t30-,33+,36-,40-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514200 (CHEMBL4446378 | US10703733, Comparative Example 1) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514215 (CHEMBL4577379 | US11274105, Example 4) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C34H41ClN2O6/c1-36-15-4-3-7-29(42-2)26-11-8-23(26)19-37-20-33(14-5-6-22-16-25(35)10-12-27(22)33)21-43-30-13-9-24(17-28(30)37)34(41,32(39)40)18-31(36)38/h3,7,9-10,12-13,16-17,23,26,29,41H,4-6,8,11,14-15,18-21H2,1-2H3,(H,39,40)/b7-3+/t23-,26+,29-,33-,34+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514201 (CHEMBL4547370 | US11274105, Example 191) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCOCC(F)F)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:16| Show InChI InChI=1S/C39H51ClF2N4O8S/c1-44(2)55(50,51)43-37(48)39(49)21-36(47)45(3)16-5-4-8-33(53-18-17-52-23-35(41)42)30-12-9-27(30)22-46-24-38(25-54-34-14-10-28(39)20-32(34)46)15-6-7-26-19-29(40)11-13-31(26)38/h4,8,10-11,13-14,19-20,27,30,33,35,49H,5-7,9,12,15-18,21-25H2,1-3H3,(H,43,48)/b8-4+/t27-,30+,33-,38-,39+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514214 (CHEMBL4542646 | US11274105, Example 41) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9| Show InChI InChI=1S/C33H39ClN2O6/c1-35-14-3-2-6-28(37)25-10-7-22(25)18-36-19-32(13-4-5-21-15-24(34)9-11-26(21)32)20-42-29-12-8-23(16-27(29)36)33(41,31(39)40)17-30(35)38/h2,6,8-9,11-12,15-16,22,25,28,37,41H,3-5,7,10,13-14,17-20H2,1H3,(H,39,40)/b6-2+/t22-,25+,28-,32-,33+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514206 (CHEMBL4588330 | US11274105, Example 187) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCCN1CC(F)(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:19| Show InChI InChI=1S/C41H54ClF2N5O7S/c1-46(2)57(53,54)45-38(51)41(52)22-37(50)47(3)17-5-4-9-35(55-19-7-18-48-25-40(43,44)26-48)32-13-10-29(32)23-49-24-39(27-56-36-15-11-30(41)21-34(36)49)16-6-8-28-20-31(42)12-14-33(28)39/h4,9,11-12,14-15,20-21,29,32,35,52H,5-8,10,13,16-19,22-27H2,1-3H3,(H,45,51)/b9-4+/t29-,32+,35-,39-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514219 (CHEMBL4438074 | US11274105, Example 181) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:17| Show InChI InChI=1S/C40H53ClFN5O7S/c1-44(2)55(51,52)43-38(49)40(50)21-37(48)45(3)16-5-4-8-35(53-18-17-46-23-31(42)24-46)32-12-9-28(32)22-47-25-39(26-54-36-14-10-29(40)20-34(36)47)15-6-7-27-19-30(41)11-13-33(27)39/h4,8,10-11,13-14,19-20,28,31-32,35,50H,5-7,9,12,15-18,21-26H2,1-3H3,(H,43,49)/b8-4+/t28-,32+,35-,39-,40+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514216 (CHEMBL4528051 | US11274105, Example 5) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C36H47ClN4O7S/c1-39(2)49(45,46)38-34(43)36(44)20-33(42)40(3)17-6-5-9-31(47-4)28-13-10-25(28)21-41-22-35(23-48-32-15-11-26(36)19-30(32)41)16-7-8-24-18-27(37)12-14-29(24)35/h5,9,11-12,14-15,18-19,25,28,31,44H,6-8,10,13,16-17,20-23H2,1-4H3,(H,38,43)/b9-5+/t25-,28+,31-,35-,36+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514218 (CHEMBL4539543 | US11274105, Example 197) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(C1)OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C41H56ClN5O8S/c1-44(2)56(51,52)43-39(49)41(50)22-38(48)45(3)17-6-5-9-36(54-19-18-46-24-32(25-46)53-4)33-13-10-29(33)23-47-26-40(27-55-37-15-11-30(41)21-35(37)47)16-7-8-28-20-31(42)12-14-34(28)40/h5,9,11-12,14-15,20-21,29,32-33,36,50H,6-8,10,13,16-19,22-27H2,1-4H3,(H,43,49)/b9-5+/t29-,33+,36-,40-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514204 (CHEMBL4437832) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CCCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9| Show InChI InChI=1S/C34H41ClN2O6/c1-36-15-4-2-3-7-29(38)26-11-8-23(26)19-37-20-33(14-5-6-22-16-25(35)10-12-27(22)33)21-43-30-13-9-24(17-28(30)37)34(42,32(40)41)18-31(36)39/h3,7,9-10,12-13,16-17,23,26,29,38,42H,2,4-6,8,11,14-15,18-21H2,1H3,(H,40,41)/b7-3+/t23-,26+,29-,33-,34+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514217 (CHEMBL4452794 | US11274105, Example 196) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCC(F)(F)CC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:20| Show InChI InChI=1S/C42H56ClF2N5O7S/c1-47(2)58(54,55)46-39(52)42(53)25-38(51)48(3)18-5-4-8-36(56-22-21-49-19-16-41(44,45)17-20-49)33-12-9-30(33)26-50-27-40(28-57-37-14-10-31(42)24-35(37)50)15-6-7-29-23-32(43)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,53H,5-7,9,12,15-22,25-28H2,1-3H3,(H,46,52)/b8-4+/t30-,33+,36-,40-,42+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514208 (CHEMBL4469850 | US11274105, Example 61) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CCN(C)C(=O)C[C@](OC)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9| Show InChI InChI=1S/C34H41ClN2O6/c1-36-15-4-3-7-29(38)26-11-8-23(26)19-37-20-33(14-5-6-22-16-25(35)10-12-27(22)33)21-43-30-13-9-24(17-28(30)37)34(42-2,32(40)41)18-31(36)39/h3,7,9-10,12-13,16-17,23,26,29,38H,4-6,8,11,14-15,18-21H2,1-2H3,(H,40,41)/b7-3+/t23-,26+,29-,33-,34+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514207 (CHEMBL4562159) Show SMILES [H][C@@]12CC[C@@]1([H])[C@H](CCCCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1)OC |r| Show InChI InChI=1S/C36H49ClN4O7S/c1-39(2)49(45,46)38-34(43)36(44)20-33(42)40(3)17-6-5-9-31(47-4)28-13-10-25(28)21-41-22-35(23-48-32-15-11-26(36)19-30(32)41)16-7-8-24-18-27(37)12-14-29(24)35/h11-12,14-15,18-19,25,28,31,44H,5-10,13,16-17,20-23H2,1-4H3,(H,38,43)/t25-,28+,31-,35-,36+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514197 (CHEMBL4561691 | US11274105, Example 63) Show SMILES CN1C\C=C\CCCCN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)[C@](O)(CC1=O)C(O)=O |r,t:3| Show InChI InChI=1S/C30H35ClN2O5/c1-32-14-5-3-2-4-6-15-33-19-29(13-7-8-21-16-23(31)10-11-24(21)29)20-38-26-12-9-22(17-25(26)33)30(37,28(35)36)18-27(32)34/h3,5,9-12,16-17,37H,2,4,6-8,13-15,18-20H2,1H3,(H,35,36)/b5-3+/t29-,30+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514205 (CHEMBL4452403) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9| Show InChI InChI=1S/C32H37ClN2O6/c1-34-13-3-5-27(36)24-9-6-21(24)17-35-18-31(12-2-4-20-14-23(33)8-10-25(20)31)19-41-28-11-7-22(15-26(28)35)32(40,30(38)39)16-29(34)37/h3,5,7-8,10-11,14-15,21,24,27,36,40H,2,4,6,9,12-13,16-19H2,1H3,(H,38,39)/b5-3+/t21-,24+,27-,31-,32+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514209 (CHEMBL4460664) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)CCCCN(C)C(=O)C[C@@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r| Show InChI InChI=1S/C33H41ClN2O6/c1-35-14-3-2-6-28(37)25-10-7-22(25)18-36-19-32(13-4-5-21-15-24(34)9-11-26(21)32)20-42-29-12-8-23(16-27(29)36)33(41,31(39)40)17-30(35)38/h8-9,11-12,15-16,22,25,28,37,41H,2-7,10,13-14,17-20H2,1H3,(H,39,40)/t22-,25+,28-,32-,33-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (IUBO-AG) Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 21: 6641-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.069 BindingDB Entry DOI: 10.7270/Q22B8ZDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (IUBO-AG) Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 21: 6641-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.069 BindingDB Entry DOI: 10.7270/Q22B8ZDP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50116067 ((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r| Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				J Med Chem 50: 5886-9 (2007) Article DOI: 10.1021/jm070708p BindingDB Entry DOI: 10.7270/Q22J6BM7
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50226485 ((R)-3-(3-fluoro-4-(tetrahydro-2H-pyran-4-yl)phenyl...) Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCOCC2)c(F)c1 Show InChI InChI=1S/C15H17FN2O4/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-21-6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				J Med Chem 50: 5886-9 (2007) Article DOI: 10.1021/jm070708p BindingDB Entry DOI: 10.7270/Q22J6BM7
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50226479 ((R)-3-(3,5-difluoro-4-morpholinophenyl)-2-oxooxazo...) Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCOCC2)c(F)c1 Show InChI InChI=1S/C14H15F2N3O4/c15-9-5-8(19-7-11(13(17)20)23-14(19)21)6-10(16)12(9)18-1-3-22-4-2-18/h5-6,11H,1-4,7H2,(H2,17,20)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				J Med Chem 50: 5886-9 (2007) Article DOI: 10.1021/jm070708p BindingDB Entry DOI: 10.7270/Q22J6BM7
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50226484 ((5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl...) Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCS(=O)(=O)CC2)c(F)c1 Show InChI InChI=1S/C15H17FN2O5S/c16-12-7-10(18-8-13(14(17)19)23-15(18)20)1-2-11(12)9-3-5-24(21,22)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				J Med Chem 50: 5886-9 (2007) Article DOI: 10.1021/jm070708p BindingDB Entry DOI: 10.7270/Q22J6BM7
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50226480 ((R)-3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidi...) Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 Show InChI InChI=1S/C14H16FN3O4/c15-10-7-9(18-8-12(13(16)19)22-14(18)20)1-2-11(10)17-3-5-21-6-4-17/h1-2,7,12H,3-6,8H2,(H2,16,19)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.46E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				J Med Chem 50: 5886-9 (2007) Article DOI: 10.1021/jm070708p BindingDB Entry DOI: 10.7270/Q22J6BM7
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50226481 ((5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl...) Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(C2CCS(=O)(=O)CC2)c(F)c1 Show InChI InChI=1S/C15H16F2N2O5S/c16-10-5-9(19-7-12(14(18)20)24-15(19)21)6-11(17)13(10)8-1-3-25(22,23)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				J Med Chem 50: 5886-9 (2007) Article DOI: 10.1021/jm070708p BindingDB Entry DOI: 10.7270/Q22J6BM7
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50226482 ((5R)-3-[3,5-difluoro-4-(1-oxidotetrahydro-2H-thiop...) Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(C2CCS(=O)CC2)c(F)c1 Show InChI InChI=1S/C15H16F2N2O4S/c16-10-5-9(19-7-12(14(18)20)23-15(19)21)6-11(17)13(10)8-1-3-24(22)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t8?,12-,24?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.55E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				J Med Chem 50: 5886-9 (2007) Article DOI: 10.1021/jm070708p BindingDB Entry DOI: 10.7270/Q22J6BM7
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514199 (CHEMBL4553660 | US11274105, Example 182) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCOCC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C41H56ClN5O8S/c1-44(2)56(51,52)43-39(49)41(50)25-38(48)45(3)16-5-4-8-36(54-22-19-46-17-20-53-21-18-46)33-12-9-30(33)26-47-27-40(28-55-37-14-10-31(41)24-35(37)47)15-6-7-29-23-32(42)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,50H,5-7,9,12,15-22,25-28H2,1-3H3,(H,43,49)/b8-4+/t30-,33+,36-,40-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514220 (CHEMBL4535151 | US11274105, Example 188) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCC(=O)N(C)C)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:15| Show InChI InChI=1S/C39H52ClN5O8S/c1-42(2)36(47)23-52-33-10-6-7-18-44(5)35(46)21-39(49,37(48)41-54(50,51)43(3)4)28-12-16-34-32(20-28)45(22-27-11-14-30(27)33)24-38(25-53-34)17-8-9-26-19-29(40)13-15-31(26)38/h6,10,12-13,15-16,19-20,27,30,33,49H,7-9,11,14,17-18,21-25H2,1-5H3,(H,41,48)/b10-6+/t27-,30+,33-,38-,39+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514222 (CHEMBL4580244 | US11274105, Example 193) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCS(=O)(=O)CC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:20| Show InChI InChI=1S/C41H56ClN5O9S2/c1-44(2)58(53,54)43-39(49)41(50)25-38(48)45(3)16-5-4-8-36(55-20-17-46-18-21-57(51,52)22-19-46)33-12-9-30(33)26-47-27-40(28-56-37-14-10-31(41)24-35(37)47)15-6-7-29-23-32(42)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,50H,5-7,9,12,15-22,25-28H2,1-3H3,(H,43,49)/b8-4+/t30-,33+,36-,40-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514224 (CHEMBL4464768) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCNCC(F)(F)CO)\C=C\CCN(C)C(=O)C[C@@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C40H54ClF2N5O8S/c1-46(2)57(53,54)45-37(51)40(52)21-36(50)47(3)17-5-4-8-34(55-18-16-44-23-39(42,43)25-49)31-12-9-28(31)22-48-24-38(26-56-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38/h4,8,10-11,13-14,19-20,28,31,34,44,49,52H,5-7,9,12,15-18,21-26H2,1-3H3,(H,45,51)/b8-4+/t28-,31+,34-,38-,40-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514200 (CHEMBL4446378 | US10703733, Comparative Example 1) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514216 (CHEMBL4528051 | US11274105, Example 5) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C36H47ClN4O7S/c1-39(2)49(45,46)38-34(43)36(44)20-33(42)40(3)17-6-5-9-31(47-4)28-13-10-25(28)21-41-22-35(23-48-32-15-11-26(36)19-30(32)41)16-7-8-24-18-27(37)12-14-29(24)35/h5,9,11-12,14-15,18-19,25,28,31,44H,6-8,10,13,16-17,20-23H2,1-4H3,(H,38,43)/b9-5+/t25-,28+,31-,35-,36+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514202 (CHEMBL4446369 | US11274105, Example 179) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(F)(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C40H52ClF2N5O7S/c1-45(2)56(52,53)44-37(50)40(51)21-36(49)46(3)16-5-4-8-34(54-18-17-47-24-39(42,43)25-47)31-12-9-28(31)22-48-23-38(26-55-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38/h4,8,10-11,13-14,19-20,28,31,34,51H,5-7,9,12,15-18,21-26H2,1-3H3,(H,44,50)/b8-4+/t28-,31+,34-,38-,40+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514218 (CHEMBL4539543 | US11274105, Example 197) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(C1)OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C41H56ClN5O8S/c1-44(2)56(51,52)43-39(49)41(50)22-38(48)45(3)17-6-5-9-36(54-19-18-46-24-32(25-46)53-4)33-13-10-29(33)23-47-26-40(27-55-37-15-11-30(41)21-35(37)47)16-7-8-28-20-31(42)12-14-34(28)40/h5,9,11-12,14-15,20-21,29,32-33,36,50H,6-8,10,13,16-19,22-27H2,1-4H3,(H,43,49)/b9-5+/t29-,33+,36-,40-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514219 (CHEMBL4438074 | US11274105, Example 181) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:17| Show InChI InChI=1S/C40H53ClFN5O7S/c1-44(2)55(51,52)43-38(49)40(50)21-37(48)45(3)16-5-4-8-35(53-18-17-46-23-31(42)24-46)32-12-9-28(32)22-47-25-39(26-54-36-14-10-29(40)20-34(36)47)15-6-7-27-19-30(41)11-13-33(27)39/h4,8,10-11,13-14,19-20,28,31-32,35,50H,5-7,9,12,15-18,21-26H2,1-3H3,(H,43,49)/b8-4+/t28-,32+,35-,39-,40+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50557972 (CHEMBL4790186) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cc(F)cc(F)c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110delta/p85alpha (unknown origin) expressed in baculovirus infected Sf9 cells ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01651 BindingDB Entry DOI: 10.7270/Q2QC076H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50334681 (((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...) Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccc(F)cc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(.46,-29.77,;1.79,-28.99,;.3,-28.6,;3.13,-29.75,;4.46,-28.98,;5.8,-29.75,;5.79,-31.29,;4.47,-32.06,;3.14,-31.3,;7.13,-32.05,;7.14,-33.59,;8.46,-31.28,;8.46,-29.74,;9.23,-28.41,;7.69,-28.41,;9.8,-32.04,;11.13,-31.27,;12.46,-32.04,;12.46,-33.59,;13.89,-33.03,;15.1,-33.99,;16.53,-33.42,;17.74,-34.39,;16.76,-31.9,;11.13,-34.35,;9.8,-33.59,;13.22,-34.92,;12.44,-36.24,;13.2,-37.57,;14.73,-37.58,;15.49,-38.92,;15.5,-36.25,;14.74,-34.92,;1.78,-27.45,;3.11,-26.67,;.44,-26.68,;1.38,-25.96,)| Show InChI InChI=1S/C27H30F4N2O4/c1-25(36,27(29,30)31)18-4-2-17(3-5-18)23(34)33(21-10-11-21)22-12-14-26(15-13-22,16-37-24(32)35)19-6-8-20(28)9-7-19/h2-9,21-22,36H,10-16H2,1H3,(H2,32,35)/t22-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.10.129 BindingDB Entry DOI: 10.7270/Q2K937SB
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514206 (CHEMBL4588330 | US11274105, Example 187) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCCN1CC(F)(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:19| Show InChI InChI=1S/C41H54ClF2N5O7S/c1-46(2)57(53,54)45-38(51)41(52)22-37(50)47(3)17-5-4-9-35(55-19-7-18-48-25-40(43,44)26-48)32-13-10-29(32)23-49-24-39(27-56-36-15-11-30(41)21-34(36)49)16-6-8-28-20-31(42)12-14-33(28)39/h4,9,11-12,14-15,20-21,29,32,35,52H,5-8,10,13,16-19,22-27H2,1-3H3,(H,45,51)/b9-4+/t29-,32+,35-,39-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514204 (CHEMBL4437832) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CCCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9| Show InChI InChI=1S/C34H41ClN2O6/c1-36-15-4-2-3-7-29(38)26-11-8-23(26)19-37-20-33(14-5-6-22-16-25(35)10-12-27(22)33)21-43-30-13-9-24(17-28(30)37)34(42,32(40)41)18-31(36)39/h3,7,9-10,12-13,16-17,23,26,29,38,42H,2,4-6,8,11,14-15,18-21H2,1H3,(H,40,41)/b7-3+/t23-,26+,29-,33-,34+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514215 (CHEMBL4577379 | US11274105, Example 4) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C34H41ClN2O6/c1-36-15-4-3-7-29(42-2)26-11-8-23(26)19-37-20-33(14-5-6-22-16-25(35)10-12-27(22)33)21-43-30-13-9-24(17-28(30)37)34(41,32(39)40)18-31(36)38/h3,7,9-10,12-13,16-17,23,26,29,41H,4-6,8,11,14-15,18-21H2,1-2H3,(H,39,40)/b7-3+/t23-,26+,29-,33-,34+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514201 (CHEMBL4547370 | US11274105, Example 191) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCOCC(F)F)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:16| Show InChI InChI=1S/C39H51ClF2N4O8S/c1-44(2)55(50,51)43-37(48)39(49)21-36(47)45(3)16-5-4-8-33(53-18-17-52-23-35(41)42)30-12-9-27(30)22-46-24-38(25-54-34-14-10-28(39)20-32(34)46)15-6-7-26-19-29(40)11-13-31(26)38/h4,8,10-11,13-14,19-20,27,30,33,35,49H,5-7,9,12,15-18,21-25H2,1-3H3,(H,43,48)/b8-4+/t27-,30+,33-,38-,39+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514214 (CHEMBL4542646 | US11274105, Example 41) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9| Show InChI InChI=1S/C33H39ClN2O6/c1-35-14-3-2-6-28(37)25-10-7-22(25)18-36-19-32(13-4-5-21-15-24(34)9-11-26(21)32)20-42-29-12-8-23(16-27(29)36)33(41,31(39)40)17-30(35)38/h2,6,8-9,11-12,15-16,22,25,28,37,41H,3-5,7,10,13-14,17-20H2,1H3,(H,39,40)/b6-2+/t22-,25+,28-,32-,33+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50334680 (((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...) Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(10.24,-34.27,;11.57,-33.49,;10.08,-33.1,;12.91,-34.25,;14.24,-33.48,;15.58,-34.25,;15.57,-35.79,;14.25,-36.56,;12.92,-35.8,;16.91,-36.55,;16.91,-38.09,;18.24,-35.78,;18.24,-34.24,;19.01,-32.91,;17.46,-32.91,;19.58,-36.54,;20.91,-35.77,;22.24,-36.54,;22.24,-38.09,;23.66,-37.51,;24.88,-38.45,;26.31,-37.87,;27.53,-38.82,;26.52,-36.34,;20.91,-38.85,;19.58,-38.09,;23,-39.42,;24.52,-39.42,;25.28,-40.75,;24.51,-42.08,;22.97,-42.07,;22.22,-40.74,;20.68,-40.73,;11.56,-31.95,;12.89,-31.17,;10.22,-31.18,;11.16,-30.46,)| Show InChI InChI=1S/C27H30F4N2O4/c1-25(36,27(29,30)31)18-8-6-17(7-9-18)23(34)33(19-10-11-19)20-12-14-26(15-13-20,16-37-24(32)35)21-4-2-3-5-22(21)28/h2-9,19-20,36H,10-16H2,1H3,(H2,32,35)/t20-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.10.129 BindingDB Entry DOI: 10.7270/Q2K937SB
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514203 (CHEMBL4593361 | US11274105, Example 6) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(C)(=O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C35H44ClN3O7S/c1-38-16-5-4-8-30(45-2)27-12-9-24(27)20-39-21-34(15-6-7-23-17-26(36)11-13-28(23)34)22-46-31-14-10-25(18-29(31)39)35(42,19-32(38)40)33(41)37-47(3,43)44/h4,8,10-11,13-14,17-18,24,27,30,42H,5-7,9,12,15-16,19-22H2,1-3H3,(H,37,41)/b8-4+/t24-,27+,30-,34-,35+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50334673 (CHEMBL1642593 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...) Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(8.32,-10.39,;9.65,-9.61,;8.16,-9.22,;10.99,-10.38,;12.32,-9.6,;13.66,-10.37,;13.66,-11.91,;12.34,-12.68,;11,-11.93,;14.99,-12.67,;15,-14.22,;16.33,-11.9,;16.32,-10.36,;17.09,-9.03,;15.55,-9.03,;17.66,-12.67,;18.99,-11.89,;20.32,-12.67,;20.32,-14.21,;21.65,-13.43,;22.99,-14.19,;24.32,-13.41,;25.66,-14.17,;24.31,-11.87,;18.99,-14.97,;17.66,-14.21,;21.08,-15.54,;20.3,-16.86,;21.06,-18.19,;22.59,-18.2,;23.36,-16.87,;22.6,-15.55,;9.65,-8.07,;10.98,-7.29,;8.31,-7.3,;9.24,-6.58,)| Show InChI InChI=1S/C28H33F3N2O3/c1-26(36,28(29,30)31)20-9-7-19(8-10-20)25(35)33(22-11-12-22)23-13-16-27(17-14-23,18-15-24(32)34)21-5-3-2-4-6-21/h2-10,22-23,36H,11-18H2,1H3,(H2,32,34)/t23-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.10.129 BindingDB Entry DOI: 10.7270/Q2K937SB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50557974 (CHEMBL4762294) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccc(F)c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110delta/p85alpha (unknown origin) expressed in baculovirus infected Sf9 cells ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01651 BindingDB Entry DOI: 10.7270/Q2QC076H
					More data for this Ligand-Target Pair

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