Compile Data Set for Download or QSAR

Found 1891 hits with Last Name = 'galella' and Initial = 'm'   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM50582801 (CHEMBL5076656) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cc(Cl)nn2)c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50567169 (CHEMBL4873876) Show SMILES CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(O)c1-c1c(OC)cccc1OC |(19.32,-34.97,;20.66,-35.74,;21.99,-34.96,;23.33,-35.72,;24.66,-34.94,;24.64,-33.41,;25.98,-32.63,;25.97,-31.09,;27.32,-33.39,;28.65,-32.62,;28.8,-31.09,;30.31,-30.76,;31.08,-32.09,;32.61,-32.25,;33.24,-33.66,;34.77,-33.81,;35.4,-35.21,;34.5,-36.46,;35.12,-37.87,;32.96,-36.3,;32.34,-34.9,;30.05,-33.24,;27.32,-34.93,;28.65,-35.71,;25.99,-35.7,;26,-37.24,;24.67,-38.01,;23.34,-37.25,;22.01,-38.02,;24.67,-39.55,;26,-40.32,;27.34,-39.55,;27.33,-38,;28.67,-37.23,;30,-38,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]Apelin-13 from human APJ receptor stably expressed in human HEK293 cell membrane incubated for 120 mins by TopCount scintillation...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01878 BindingDB Entry DOI: 10.7270/Q20G3PXZ
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM247411 (US10336754, Example 353 | US11053247, Example 353 ...) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50582799 (CHEMBL5094166) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cc(Cl)nn2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50014619 (CHEMBL3184840) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]Apelin-13 from human APJ receptor stably expressed in human HEK293 cell membrane incubated for 120 mins by TopCount scintillation...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01878 BindingDB Entry DOI: 10.7270/Q20G3PXZ
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582800 (CHEMBL5093567) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50541586 (CHEMBL4638245) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18188 (4-[(1S,7aR)-1-hydroxy-7-methyl-5-oxo-2,3,5,7a-tetr...) Show SMILES [H][C@@]12[C@@H](O)CCN1C(=O)C(=C2C)c1ccc(C#N)c(Cl)c1C |r,c:10| Show InChI InChI=1S/C16H15ClN2O2/c1-8-11(4-3-10(7-18)14(8)17)13-9(2)15-12(20)5-6-19(15)16(13)21/h3-4,12,15,20H,5-6H2,1-2H3/t12-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.5	-52.6	n/a	n/a	2	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18183 (4-[(1S,7R,7aR)-1-ethyl-7-hydroxy-3-oxo-hexahydro-1...) Show SMILES [H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2CC)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C16H18ClN3O2/c1-3-11-15-13(21)6-7-19(15)16(22)20(11)12-5-4-10(8-18)14(17)9(12)2/h4-5,11,13,15,21H,3,6-7H2,1-2H3/t11-,13+,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	-51.7	n/a	n/a	2.60	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582798 (CHEMBL5082323) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18178 (4-[(1R,7S,7aR)-7-hydroxy-3-oxo-1-(trifluoromethyl)...) Show SMILES [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)22-13(15(17,18)19)12-10(23)4-5-21(12)14(22)24/h2-3,10,12-13,23H,4-5H2,1H3/t10-,12-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	-51.1	n/a	n/a	2.5	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18177 (4-[(1S,7S,7aR)-1-ethyl-7-hydroxy-3-oxo-hexahydro-1...) Show SMILES [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2CC)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C16H18ClN3O2/c1-3-11-15-13(21)6-7-19(15)16(22)20(11)12-5-4-10(8-18)14(17)9(12)2/h4-5,11,13,15,21H,3,6-7H2,1-2H3/t11-,13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	-51.1	n/a	n/a	1.80	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372090 (CHEMBL403668) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C17H15IN2O3/c1-16-5-6-17(2,23-16)13-12(16)14(21)20(15(13)22)10-4-3-9(8-19)11(18)7-10/h3-4,7,21-22H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18184 (4-[(1R,7R,7aR)-7-hydroxy-3-oxo-1-(trifluoromethyl)...) Show SMILES [H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)22-13(15(17,18)19)12-10(23)4-5-21(12)14(22)24/h2-3,10,12-13,23H,4-5H2,1H3/t10-,12+,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	-50.9	n/a	n/a	2.90	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582795 (CHEMBL5081455) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C1CC1 |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582794 (CHEMBL5077709) Show SMILES CCn1ncc2NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3-n3ccnn3)c3cc(ccn3)-c12 |r,c:18| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18173 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...) Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |r,wU:12.13,(.01,.36,;.81,1.67,;2.35,1.63,;3.09,.28,;3.16,2.94,;2.42,4.3,;.88,4.34,;.08,3.02,;-1.46,3.02,;-1.94,4.49,;-1.03,5.73,;-3.48,4.49,;-4.72,5.39,;-4.72,6.93,;-5.97,4.49,;-5.5,3.02,;-3.95,3.02,;-2.71,2.12,;-2.71,.58,;4.7,2.9,;6.24,2.9,)| Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.40	-50.0	n/a	n/a	0.700	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18176 (4-[(1S,7S,7aR)-7-hydroxy-1-methyl-3-oxo-hexahydro-...) Show SMILES [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H16ClN3O2/c1-8-11(4-3-10(7-17)13(8)16)19-9(2)14-12(20)5-6-18(14)15(19)21/h3-4,9,12,14,20H,5-6H2,1-2H3/t9-,12-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	-49.9	n/a	n/a	5.20	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18180 (4-[(1R,7S,7aR)-1-ethyl-7-hydroxy-3-oxo-hexahydro-1...) Show SMILES [H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2CC)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C16H18ClN3O2/c1-3-11-15-13(21)6-7-19(15)16(22)20(11)12-5-4-10(8-18)14(17)9(12)2/h4-5,11,13,15,21H,3,6-7H2,1-2H3/t11-,13+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	-49.7	n/a	n/a	7.10	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582793 (CHEMBL5082956) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18181 (4-[(1S,7S,7aR)-7-hydroxy-3-oxo-1-(trifluoromethyl)...) Show SMILES [H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)22-13(15(17,18)19)12-10(23)4-5-21(12)14(22)24/h2-3,10,12-13,23H,4-5H2,1H3/t10-,12-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	-49.3	n/a	n/a	48	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18174 (4-[(7R,7aR)-7-hydroxy-3-oxo-hexahydro-1H-pyrrolo[1...) Show SMILES [H][C@]12CN(C(=O)N1CC[C@H]2O)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C14H14ClN3O2/c1-8-10(3-2-9(6-16)13(8)15)18-7-11-12(19)4-5-17(11)14(18)20/h2-3,11-12,19H,4-5,7H2,1H3/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	-49.2	n/a	n/a	15	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204245 (CHEMBL3898284) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5| Show InChI InChI=1S/C17H15F3N2O2S/c1-16-12-4-2-10(6-12)15(16)9-22(25(16,23)24)13-5-3-11(8-21)14(7-13)17(18,19)20/h2-5,7,10,12,15H,6,9H2,1H3/t10-,12+,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18186 (4-[(1S,7R,7aR)-7-hydroxy-3-oxo-1-(trifluoromethyl)...) Show SMILES [H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)22-13(15(17,18)19)12-10(23)4-5-21(12)14(22)24/h2-3,10,12-13,23H,4-5H2,1H3/t10-,12+,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	-48.9	n/a	n/a	2.10	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18175 (4-[(3aR,4R,6aS)-4-hydroxy-1-oxo-octahydrocyclopent...) Show SMILES [H][C@]12CN(C(=O)[C@@]1([H])CC[C@H]2O)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H15ClN2O2/c1-8-12(4-2-9(6-17)14(8)16)18-7-11-10(15(18)20)3-5-13(11)19/h2,4,10-11,13,19H,3,5,7H2,1H3/t10-,11-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	2.20	-48.9	n/a	n/a	20	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18185 (4-[(1R,7R,7aR)-1-ethyl-7-hydroxy-3-oxo-hexahydro-1...) Show SMILES [H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2CC)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C16H18ClN3O2/c1-3-11-15-13(21)6-7-19(15)16(22)20(11)12-5-4-10(8-18)14(17)9(12)2/h4-5,11,13,15,21H,3,6-7H2,1-2H3/t11-,13-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	-48.8	n/a	n/a	7.40	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372078 (CHEMBL272574) Show SMILES CC12C[C@@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:8.14,THB:12:14:7:2.3,9:8:7:2.3| Show InChI InChI=1S/C17H15IN2O4/c1-16-6-11(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-4-3-8(7-19)10(18)5-9/h3-5,11,21-23H,6H2,1-2H3/t11-,16?,17?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582791 (CHEMBL5094070) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnc2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18182 (4-[(1S,7R,7aR)-7-hydroxy-1-methyl-3-oxo-hexahydro-...) Show SMILES [H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H16ClN3O2/c1-8-11(4-3-10(7-17)13(8)16)19-9(2)14-12(20)5-6-18(14)15(19)21/h3-4,9,12,14,20H,5-6H2,1-2H3/t9-,12+,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	-48.2	n/a	n/a	13	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372082 (CHEMBL446626) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c2nsnc12 |THB:11:13:6:2.3,8:7:6:2.3,(28.74,-48.8,;27.41,-49.58,;28.3,-50.89,;27.39,-51.64,;26.52,-50.54,;25.81,-51.91,;27.75,-48.2,;25.03,-50.57,;23.98,-49.8,;22.75,-50.2,;24.39,-48.57,;25.69,-48.58,;26.33,-47.45,;26.08,-49.81,;23.05,-47.8,;21.7,-48.58,;20.36,-47.8,;20.37,-46.25,;19.03,-45.49,;17.68,-44.73,;21.69,-45.47,;22.02,-43.95,;23.56,-43.79,;24.19,-45.21,;23.04,-46.25,)| Show InChI InChI=1S/C17H14N4O3S/c1-16-5-6-17(2,24-16)11-10(16)14(22)21(15(11)23)9-4-3-8(7-18)12-13(9)20-25-19-12/h3-4,22-23H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204251 (CHEMBL3921315) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C18H18F3N3O3S/c1-23-16(25)17-12-4-2-10(6-12)15(17)9-24(28(17,26)27)13-5-3-11(8-22)14(7-13)18(19,20)21/h3,5,7,10,12,15H,2,4,6,9H2,1H3,(H,23,25)/t10-,12+,15-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204247 (CHEMBL3920247) Show SMILES [H][C@]12C[C@H](O)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H17F3N2O3S/c1-16-13-4-10(5-15(13)23)14(16)8-22(26(16,24)25)11-3-2-9(7-21)12(6-11)17(18,19)20/h2-3,6,10,13-15,23H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204246 (CHEMBL3893320) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C(N)=O)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H16F3N3O3S/c18-17(19,20)13-6-12(4-2-10(13)7-21)23-8-14-9-1-3-11(5-9)16(14,15(22)24)27(23,25)26/h2,4,6,9,11,14H,1,3,5,8H2,(H2,22,24)/t9-,11+,14-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204243 (CHEMBL3926358) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H17F3N2O2S/c1-16-12-4-2-10(6-12)15(16)9-22(25(16,23)24)13-5-3-11(8-21)14(7-13)17(18,19)20/h3,5,7,10,12,15H,2,4,6,9H2,1H3/t10-,12+,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204241 (CHEMBL3917372) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C16H15F3N2O2S/c17-16(18,19)14-6-12(4-3-11(14)7-20)21-8-13-9-1-2-10(5-9)15(13)24(21,22)23/h3-4,6,9-10,13,15H,1-2,5,8H2/t9-,10+,13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372103 (CHEMBL402807) Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |THB:9:8:7:5.4,1:2:7:5.4,(7.88,-13.23,;8.78,-12.29,;10.06,-12.46,;11.36,-11.72,;12.65,-12.28,;13.1,-11.18,;11.68,-10.45,;11.33,-9.07,;10.63,-11.29,;9.69,-10.39,;9.71,-9.09,;8.54,-11.01,;6.99,-10.97,;6.18,-12.3,;4.63,-12.26,;3.89,-10.89,;2.34,-10.85,;1.6,-9.49,;1.53,-12.17,;4.7,-9.57,;3.96,-8.22,;4.76,-6.91,;6.31,-6.94,;7.04,-8.3,;6.24,-9.61,)| Show InChI InChI=1S/C18H14N2O5/c21-17-15-13-7-8-14(25-13)16(15)18(22)19(17)11-5-6-12(20(23)24)10-4-2-1-3-9(10)11/h1-6,13-14,21-22H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372089 (CHEMBL272509) Show SMILES CSc1cc(ccc1C#N)-n1c(O)c2c(c1O)C1(C)CCC2(C)O1 |THB:11:13:23:20.19,15:14:23:20.19| Show InChI InChI=1S/C18H18N2O3S/c1-17-6-7-18(2,23-17)14-13(17)15(21)20(16(14)22)11-5-4-10(9-19)12(8-11)24-3/h4-5,8,21-22H,6-7H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372088 (CHEMBL257668) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cc(Cl)cc(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C16H15Cl2NO3/c1-15-3-4-16(2,22-15)12-11(15)13(20)19(14(12)21)10-6-8(17)5-9(18)7-10/h5-7,20-21H,3-4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18171 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14,21-22H,7-8H2/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.20	-48.0	n/a	n/a	2.30	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18179 (4-[(1R,7S,7aR)-7-hydroxy-1-methyl-3-oxo-hexahydro-...) Show SMILES [H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2C)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H16ClN3O2/c1-8-11(4-3-10(7-17)13(8)16)19-9(2)14-12(20)5-6-18(14)15(19)21/h3-4,9,12,14,20H,5-6H2,1-2H3/t9-,12+,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4	-47.5	n/a	n/a	87	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372086 (CHEMBL403213) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cnc(C#N)c(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C16H14ClN3O3/c1-15-3-4-16(2,23-15)12-11(15)13(21)20(14(12)22)8-5-9(17)10(6-18)19-7-8/h5,7,21-22H,3-4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204242 (CHEMBL3902310) Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C18H17F4N3O3S/c1-24-16(26)17-13-4-10(5-15(13)19)14(17)8-25(29(17,27)28)11-3-2-9(7-23)12(6-11)18(20,21)22/h2-3,6,10,13-15H,4-5,8H2,1H3,(H,24,26)/t10-,13+,14+,15+,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582796 (CHEMBL5085333) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C1CCC1 |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372079 (CHEMBL255331) Show SMILES CC12C[C@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:14.8,THB:9:8:7:3.2,12:14:7:3.2| Show InChI InChI=1S/C17H15IN2O4/c1-16-6-11(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-4-3-8(7-19)10(18)5-9/h3-5,11,21-23H,6H2,1-2H3/t11-,16?,17?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204249 (CHEMBL3935242) Show SMILES [H][C@]12CC[C@]([H])(C1=O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10| Show InChI InChI=1S/C17H15F3N2O3S/c1-16-12-5-4-11(15(12)23)14(16)8-22(26(16,24)25)10-3-2-9(7-21)13(6-10)17(18,19)20/h2-3,6,11-12,14H,4-5,8H2,1H3/t11-,12-,14+,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204250 (CHEMBL3949176) Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H16F4N2O2S/c1-16-13-4-10(5-15(13)18)14(16)8-23(26(16,24)25)11-3-2-9(7-22)12(6-11)17(19,20)21/h2-3,6,10,13-15H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582790 (CHEMBL5092888) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582792 (CHEMBL5080026) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cccn2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582797 (CHEMBL5084533) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2CC(F)F |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204248 (CHEMBL3987109) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5| Show InChI InChI=1S/C16H13F3N2O2S/c17-16(18,19)14-6-12(4-3-11(14)7-20)21-8-13-9-1-2-10(5-9)15(13)24(21,22)23/h1-4,6,9-10,13,15H,5,8H2/t9-,10+,13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1891 total )  |  Next  |  Last  >>

Jump to: