Compile Data Set for Download or QSAR

Found 152 hits with Last Name = 'podust' and Initial = 'lm'   

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
Cruzipain (Trypanosoma cruzi)	BDBM50603782 (CHEMBL4596414) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0810	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50602542 (CHEMBL4594870) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0860	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50602545 (CHEMBL4596647) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603779 (CHEMBL3558756) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603794 (CHEMBL5184737) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603788 (CHEMBL5171874) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccccc1)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603795 (CHEMBL5175270) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50602544 (CHEMBL4594757) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603793 (CHEMBL5199542) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603792 (CHEMBL5176188) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603781 (CHEMBL4596941) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603789 (CHEMBL5183942) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccccc1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603783 (CHEMBL4595806) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603790 (CHEMBL5191563) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603796 (CHEMBL5204190) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc2ccccc2c1)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603787 (CHEMBL4597308) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603780 (CHEMBL4596992) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603791 (CHEMBL5179302) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603786 (CHEMBL4595664) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50602543 (CHEMBL4598338) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50033762 (Gallinamide A) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603784 (CHEMBL4595223) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603797 (CHEMBL5202965) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc2ccccc2c1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603785 (CHEMBL4595559) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG 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
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG 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
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50603798 (CHEMBL5199098) Show SMILES CCCC[C@H]1O[C@@H]1\C=C\C=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50529951 (CHEMBL4468270) Show SMILES Clc1ccc(cc1)C(c1c[nH]c(c1)-c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C20H15Cl2N3/c21-17-5-1-14(2-6-17)19-11-16(12-24-19)20(25-10-9-23-13-25)15-3-7-18(22)8-4-15/h1-13,20,24H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50529951 (CHEMBL4468270) Show SMILES Clc1ccc(cc1)C(c1c[nH]c(c1)-c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C20H15Cl2N3/c21-17-5-1-14(2-6-17)19-11-16(12-24-19)20(25-10-9-23-13-25)15-3-7-18(22)8-4-15/h1-13,20,24H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529952 (CHEMBL315874) Show SMILES Clc1ccc(cc1)-c1c[nH]cc1C(c1ccc(Cl)cc1Cl)n1ccnc1 Show InChI InChI=1S/C20H14Cl3N3/c21-14-3-1-13(2-4-14)17-10-25-11-18(17)20(26-8-7-24-12-26)16-6-5-15(22)9-19(16)23/h1-12,20,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529952 (CHEMBL315874) Show SMILES Clc1ccc(cc1)-c1c[nH]cc1C(c1ccc(Cl)cc1Cl)n1ccnc1 Show InChI InChI=1S/C20H14Cl3N3/c21-14-3-1-13(2-4-14)17-10-25-11-18(17)20(26-8-7-24-12-26)16-6-5-15(22)9-19(16)23/h1-12,20,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529949 (CHEMBL4438726) Show SMILES Clc1ccc(cc1)-n1ccc(c1)C(c1ccc(Cl)cc1Cl)n1ccnc1 Show InChI InChI=1S/C20H14Cl3N3/c21-15-1-4-17(5-2-15)25-9-7-14(12-25)20(26-10-8-24-13-26)18-6-3-16(22)11-19(18)23/h1-13,20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529950 (CHEMBL4551139) Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529950 (CHEMBL4551139) Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529949 (CHEMBL4438726) Show SMILES Clc1ccc(cc1)-n1ccc(c1)C(c1ccc(Cl)cc1Cl)n1ccnc1 Show InChI InChI=1S/C20H14Cl3N3/c21-15-1-4-17(5-2-15)25-9-7-14(12-25)20(26-10-8-24-13-26)18-6-3-16(22)11-19(18)23/h1-13,20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529948 (CHEMBL4569370) Show SMILES Cn1cc(cc1-c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C21H17Cl2N3/c1-25-13-17(12-20(25)15-2-6-18(22)7-3-15)21(26-11-10-24-14-26)16-4-8-19(23)9-5-16/h2-14,21H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529948 (CHEMBL4569370) Show SMILES Cn1cc(cc1-c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C21H17Cl2N3/c1-25-13-17(12-20(25)15-2-6-18(22)7-3-15)21(26-11-10-24-14-26)16-4-8-19(23)9-5-16/h2-14,21H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50529950 (CHEMBL4551139) Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50529950 (CHEMBL4551139) Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50529952 (CHEMBL315874) Show SMILES Clc1ccc(cc1)-c1c[nH]cc1C(c1ccc(Cl)cc1Cl)n1ccnc1 Show InChI InChI=1S/C20H14Cl3N3/c21-14-3-1-13(2-4-14)17-10-25-11-18(17)20(26-8-7-24-12-26)16-6-5-15(22)9-19(16)23/h1-12,20,25H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50529952 (CHEMBL315874) Show SMILES Clc1ccc(cc1)-c1c[nH]cc1C(c1ccc(Cl)cc1Cl)n1ccnc1 Show InChI InChI=1S/C20H14Cl3N3/c21-14-3-1-13(2-4-14)17-10-25-11-18(17)20(26-8-7-24-12-26)16-6-5-15(22)9-19(16)23/h1-12,20,25H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529951 (CHEMBL4468270) Show SMILES Clc1ccc(cc1)C(c1c[nH]c(c1)-c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C20H15Cl2N3/c21-17-5-1-14(2-6-17)19-11-16(12-24-19)20(25-10-9-23-13-25)15-3-7-18(22)8-4-15/h1-13,20,24H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529951 (CHEMBL4468270) Show SMILES Clc1ccc(cc1)C(c1c[nH]c(c1)-c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C20H15Cl2N3/c21-17-5-1-14(2-6-17)19-11-16(12-24-19)20(25-10-9-23-13-25)15-3-7-18(22)8-4-15/h1-13,20,24H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50529950 (CHEMBL4551139) Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50529950 (CHEMBL4551139) Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50529948 (CHEMBL4569370) Show SMILES Cn1cc(cc1-c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C21H17Cl2N3/c1-25-13-17(12-20(25)15-2-6-18(22)7-3-15)21(26-11-10-24-14-26)16-4-8-19(23)9-5-16/h2-14,21H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50529948 (CHEMBL4569370) Show SMILES Cn1cc(cc1-c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C21H17Cl2N3/c1-25-13-17(12-20(25)15-2-6-18(22)7-3-15)21(26-11-10-24-14-26)16-4-8-19(23)9-5-16/h2-14,21H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50236897 (3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...) Show SMILES Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair

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