Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'lengauer' and Initial = 't'   

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
Prothrombin (Homo sapiens (Human))	BDBM50082040 ((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...) Show SMILES NC(=N)C[C@H]1CC[C@H](CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1 |wU:13.13,4.3,7.10,wD:20.30,(20.28,-11.51,;18.93,-10.74,;18.93,-9.2,;17.6,-11.51,;16.27,-10.74,;14.94,-11.51,;13.61,-10.74,;13.61,-9.2,;14.94,-8.43,;16.27,-9.2,;12.28,-8.45,;10.95,-9.22,;10.93,-10.76,;9.62,-8.45,;10.09,-6.98,;8.85,-6.07,;7.59,-6.98,;8.08,-8.45,;6.73,-9.22,;6.73,-10.76,;5.4,-8.45,;5.4,-6.91,;5.79,-5.42,;7.29,-5,;7.68,-3.51,;6.59,-2.41,;5.07,-2.83,;4.7,-4.32,;4.07,-9.22,;2.74,-8.45,;3.51,-7.12,;1.97,-9.78,;1.38,-7.68,;1.38,-6.14,;2.71,-5.37,;2.71,-3.83,;1.38,-3.06,;.05,-3.86,;.05,-5.37,)| Show InChI InChI=1S/C29H39N5O4S/c30-27(31)19-22-13-15-24(16-14-22)32-28(35)26-12-7-17-34(26)29(36)25(18-21-8-3-1-4-9-21)33-39(37,38)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-26,33H,7,12-20H2,(H3,30,31)(H,32,35)/t22-,24+,25-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
German National Research Center for Information Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against thrombin				J Med Chem 42: 4422-33 (1999) BindingDB Entry DOI: 10.7270/Q2D21WVC
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8871 (5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...) Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3| Show InChI InChI=1S/C14H14N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h1-2,4,7-10H,3,5-6H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8881 (5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...) Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11ClN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8875 ((5Z)-5-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...) Show SMILES N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1 |w:12.14| Show InChI InChI=1S/C15H13N3/c16-8-11-4-5-15-12(6-11)2-1-3-13(15)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8586 ((3-Pyridylmethylene)indane 5a | 3-{[(1E)-5-fluoro-...) Show SMILES Fc1ccc2\C(CCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C15H12FN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8608 ((3-Pyridylmethylene)indane 25a | 3-{[(1E)-4-chloro...) Show SMILES Clc1cccc2\C(CCc12)=C\c1cccnc1 Show InChI InChI=1S/C15H12ClN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8871 (5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...) Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3| Show InChI InChI=1S/C14H14N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h1-2,4,7-10H,3,5-6H2,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8883 (5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...) Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8587 ((3-Pyridylmethylene)indane 5b | 3-{[(1Z)-5-fluoro-...) Show SMILES Fc1ccc2\C(CCc2c1)=C/c1cccnc1 Show InChI InChI=1S/C15H12FN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8581 ((3-Pyridylmethylene)indane 1a | 3-[(1E)-2,3-dihydr...) Show SMILES C1Cc2ccccc2\C1=C\c1cccnc1 Show InChI InChI=1S/C15H13N/c1-2-6-15-13(5-1)7-8-14(15)10-12-4-3-9-16-11-12/h1-6,9-11H,7-8H2/b14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8879 (5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...) Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8876 ((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...) Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13| Show InChI InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.3	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8879 (5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...) Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8876 ((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...) Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13| Show InChI InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8876 ((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...) Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13| Show InChI InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8879 (5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...) Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.7	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8878 (5-[(E)-(7-Chloro-3,4-dihydronaphthalen-1(2H)-ylide...) Show SMILES Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:9.9| Show InChI InChI=1S/C14H13ClN2/c15-12-5-4-10-2-1-3-11(14(10)7-12)6-13-8-16-9-17-13/h4-9H,1-3H2,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.7	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8881 (5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...) Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11ClN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.5	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8879 (5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...) Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8879 (5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...) Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.6	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8607 ((3-Pyridylmethylene)indane 24a | 3-{[(1E)-4-fluoro...) Show SMILES Fc1cccc2\C(CCc12)=C\c1cccnc1 Show InChI InChI=1S/C15H12FN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8584 ((3-Pyridylmethylene)tetrahydronaphthalene 3a | 3-[...) Show SMILES C1C\C(=C/c2cccnc2)c2ccccc2C1 Show InChI InChI=1S/C16H15N/c1-2-9-16-14(6-1)7-3-8-15(16)11-13-5-4-10-17-12-13/h1-2,4-6,9-12H,3,7-8H2/b15-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8875 ((5Z)-5-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...) Show SMILES N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1 |w:12.14| Show InChI InChI=1S/C15H13N3/c16-8-11-4-5-15-12(6-11)2-1-3-13(15)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.7	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8883 (5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...) Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.5	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8871 (5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...) Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3| Show InChI InChI=1S/C14H14N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h1-2,4,7-10H,3,5-6H2,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24.8	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25.9	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8594 ((3-Pyridylmethylene)indane 11b | 3-{[(1Z)-5-methox...) Show SMILES COc1ccc2\C(CCc2c1)=C/c1cccnc1 Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8640 ((isoquinolinemethylene)indane 30b | 5-{[(1Z)-5-flu...) Show SMILES Fc1ccc2\C(CCc2c1)=C/c1cccc2cnccc12 Show InChI InChI=1S/C19H14FN/c20-17-6-7-18-14(4-5-15(18)11-17)10-13-2-1-3-16-12-21-9-8-19(13)16/h1-3,6-12H,4-5H2/b14-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8588 ((3-Pyridylmethylene)indane 7a | 3-{[(1E)-5-chloro-...) Show SMILES Clc1ccc2\C(CCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C15H12ClN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8883 (5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...) Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.2	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8631 ((5-pyrimidylmethylene)indane 28a | 5-{[(1E)-5-fluo...) Show SMILES Fc1ccc2\C(CCc2c1)=C\c1cncnc1 Show InChI InChI=1S/C14H11FN2/c15-13-3-4-14-11(1-2-12(14)6-13)5-10-7-16-9-17-8-10/h3-9H,1-2H2/b11-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8600 ((3-Pyridylmethylene)indane 26a | 3-{[(1E)-7-methox...) Show SMILES COc1cccc2CC\C(=C/c3cccnc3)c12 Show InChI InChI=1S/C16H15NO/c1-18-15-6-2-5-13-7-8-14(16(13)15)10-12-4-3-9-17-11-12/h2-6,9-11H,7-8H2,1H3/b14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8883 (5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...) Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8881 (5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...) Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12| Show InChI InChI=1S/C13H11ClN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.7	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8609 ((3-Pyridylmethylene)indane 25b | 3-{[(1Z)-4-chloro...) Show SMILES Clc1cccc2\C(CCc12)=C/c1cccnc1 Show InChI InChI=1S/C15H12ClN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8871 (5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...) Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3| Show InChI InChI=1S/C14H14N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h1-2,4,7-10H,3,5-6H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31.4	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8593 ((3-Pyridylmethylene)indane 11a | 3-{[(1E)-5-methox...) Show SMILES COc1ccc2\C(CCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8615 ((4-Pyridylmethylene)indane 6b | 4-{[(1Z)-5-fluoro-...) Show SMILES Fc1ccc2\C(CCc2c1)=C/c1ccncc1 Show InChI InChI=1S/C15H12FN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8876 ((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...) Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13| Show InChI InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35.7	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8876 ((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...) Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13| Show InChI InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35.9	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8590 ((3-Pyridylmethylene)indane 9a | 3-{[(1E)-5-bromo-2...) Show SMILES Brc1ccc2\C(CCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C15H12BrN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair

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