Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'steele' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM50598740 (CHEMBL5175227) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| 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									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598738 (CHEMBL5204065) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccc(F)cc1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598739 (CHEMBL5188215) Show SMILES COCC[C@H](c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1)n1cc(cn1)-c1cnnn1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598724 (CHEMBL5170592) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598737 (CHEMBL5205631) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598741 (CHEMBL5204894) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccc(F)cc1)c1ccc(c[n+]1[O-])-c1c(F)c(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	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598725 (CHEMBL5185397) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598743 (CHEMBL5178223) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598734 (CHEMBL5197480) Show SMILES Cc1ncsc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598745 (CHEMBL5198823) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccn(n1)C(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598736 (CHEMBL5208095) Show SMILES Cn1cncc1-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598744 (CHEMBL5190323) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cn1cc(F)cn1)c1ccc(c[n+]1[O-])-c1c(F)c(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	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598732 (CHEMBL5192284) Show SMILES [O-][n+]1cc(ccc1C(CC1CC1)n1cc(cn1)-c1c(F)cncc1Cl)-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM10044 ((2S,15S)-15-methyl-2-[(methylsulfanyl)methyl]tetra...) Show SMILES CSC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:8| Show InChI InChI=1S/C20H28O2S/c1-19-9-8-17-15(16(19)5-6-18(19)22)4-3-13-11-14(21)7-10-20(13,17)12-23-2/h11,15-17H,3-10,12H2,1-2H3/t15?,16?,17?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Aromatase inhibitor potency as iron-binding-related type II difference spectrum				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598742 (CHEMBL5182855) Show SMILES COCC[C@H](c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1)n1cc(cn1)-c1cnnn1C |r| 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									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598729 (CHEMBL5195600) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598727 (CHEMBL5198338) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598735 (CHEMBL5193267) Show SMILES Cn1nccc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598730 (CHEMBL5204289) Show SMILES Cc1nc(N)ccc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598731 (CHEMBL5198972) Show SMILES Nc1ccc(-c2cnn(c2)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2-n2cnnn2)c(F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598733 (CHEMBL5188316) Show SMILES [O-][n+]1cc(ccc1C(CC1CC1)n1cc(cn1)-c1cncs1)-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598726 (CHEMBL5171252) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50303032 (CHEMBL584939 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCCCO[N+]([O-])=O |r| Show InChI InChI=1S/C14H21N3O9S3/c1-3-16(14(18)25-5-4-6-26-17(19)20)11-7-9(2)28(21,22)13-10(11)8-12(27-13)29(15,23)24/h8-9,11H,3-7H2,1-2H3,(H2,15,23,24)/t9-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50303030 (6-Nitrooxy-hexanoic acid ethyl-((4S,6S)-6-methyl-7...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)CCCCCO[N+]([O-])=O |r| Show InChI InChI=1S/C16H25N3O8S3/c1-3-18(14(20)7-5-4-6-8-27-19(21)22)13-9-11(2)29(23,24)16-12(13)10-15(28-16)30(17,25)26/h10-11,13H,3-9H2,1-2H3,(H2,17,25,26)/t11-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50303031 (CHEMBL570894 | N-Ethyl-N-((4S,6S)-6-methyl-7,7-dio...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)c1ccc(CO[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C18H21N3O8S3/c1-3-20(17(22)13-6-4-12(5-7-13)10-29-21(23)24)15-8-11(2)31(25,26)18-14(15)9-16(30-18)32(19,27)28/h4-7,9,11,15H,3,8,10H2,1-2H3,(H2,19,27,28)/t11-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair				3D Structure (docked)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598728 (CHEMBL5180591) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)[C@@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50303034 (CHEMBL571337 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O |r| Show InChI InChI=1S/C14H20N4O12S3/c1-3-16(14(19)28-6-9(30-18(22)23)7-29-17(20)21)11-4-8(2)32(24,25)13-10(11)5-12(31-13)33(15,26)27/h5,8-9,11H,3-4,6-7H2,1-2H3,(H2,15,26,27)/t8-,9?,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50303031 (CHEMBL570894 | N-Ethyl-N-((4S,6S)-6-methyl-7,7-dio...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)c1ccc(CO[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C18H21N3O8S3/c1-3-20(17(22)13-6-4-12(5-7-13)10-29-21(23)24)15-8-11(2)31(25,26)18-14(15)9-16(30-18)32(19,27)28/h4-7,9,11,15H,3,8,10H2,1-2H3,(H2,19,27,28)/t11-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50303033 (CHEMBL585756 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCCCCO[N+]([O-])=O |r| Show InChI InChI=1S/C15H23N3O9S3/c1-3-17(15(19)26-6-4-5-7-27-18(20)21)12-8-10(2)29(22,23)14-11(12)9-13(28-14)30(16,24)25/h9-10,12H,3-8H2,1-2H3,(H2,16,24,25)/t10-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50303032 (CHEMBL584939 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCCCO[N+]([O-])=O |r| Show InChI InChI=1S/C14H21N3O9S3/c1-3-16(14(18)25-5-4-6-26-17(19)20)11-7-9(2)28(21,22)13-10(11)8-12(27-13)29(15,23)24/h8-9,11H,3-7H2,1-2H3,(H2,15,23,24)/t9-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50303033 (CHEMBL585756 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCCCCO[N+]([O-])=O |r| Show InChI InChI=1S/C15H23N3O9S3/c1-3-17(15(19)26-6-4-5-7-27-18(20)21)12-8-10(2)29(22,23)14-11(12)9-13(28-14)30(16,24)25/h9-10,12H,3-8H2,1-2H3,(H2,16,24,25)/t10-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50303032 (CHEMBL584939 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCCCO[N+]([O-])=O |r| Show InChI InChI=1S/C14H21N3O9S3/c1-3-16(14(18)25-5-4-6-26-17(19)20)11-7-9(2)28(21,22)13-10(11)8-12(27-13)29(15,23)24/h8-9,11H,3-7H2,1-2H3,(H2,15,23,24)/t9-,11-/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	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9460 (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...) Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Competitive inhibition of human placental Cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50303031 (CHEMBL570894 | N-Ethyl-N-((4S,6S)-6-methyl-7,7-dio...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)c1ccc(CO[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C18H21N3O8S3/c1-3-20(17(22)13-6-4-12(5-7-13)10-29-21(23)24)15-8-11(2)31(25,26)18-14(15)9-16(30-18)32(19,27)28/h4-7,9,11,15H,3,8,10H2,1-2H3,(H2,19,27,28)/t11-,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	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50303033 (CHEMBL585756 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCCCCO[N+]([O-])=O |r| Show InChI InChI=1S/C15H23N3O9S3/c1-3-17(15(19)26-6-4-5-7-27-18(20)21)12-8-10(2)29(22,23)14-11(12)9-13(28-14)30(16,24)25/h9-10,12H,3-8H2,1-2H3,(H2,16,24,25)/t10-,12-/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	705	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50303034 (CHEMBL571337 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O |r| Show InChI InChI=1S/C14H20N4O12S3/c1-3-16(14(19)28-6-9(30-18(22)23)7-29-17(20)21)11-4-8(2)32(24,25)13-10(11)5-12(31-13)33(15,26)27/h5,8-9,11H,3-4,6-7H2,1-2H3,(H2,15,26,27)/t8-,9?,11-/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	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50303030 (6-Nitrooxy-hexanoic acid ethyl-((4S,6S)-6-methyl-7...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)CCCCCO[N+]([O-])=O |r| Show InChI InChI=1S/C16H25N3O8S3/c1-3-18(14(20)7-5-4-6-8-27-19(21)22)13-9-11(2)29(23,24)16-12(13)10-15(28-16)30(17,25)26/h10-11,13H,3-9H2,1-2H3,(H2,17,25,26)/t11-,13-/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	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50303034 (CHEMBL571337 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O |r| Show InChI InChI=1S/C14H20N4O12S3/c1-3-16(14(19)28-6-9(30-18(22)23)7-29-17(20)21)11-4-8(2)32(24,25)13-10(11)5-12(31-13)33(15,26)27/h5,8-9,11H,3-4,6-7H2,1-2H3,(H2,15,26,27)/t8-,9?,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50303030 (6-Nitrooxy-hexanoic acid ethyl-((4S,6S)-6-methyl-7...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)CCCCCO[N+]([O-])=O |r| Show InChI InChI=1S/C16H25N3O8S3/c1-3-18(14(20)7-5-4-6-8-27-19(21)22)13-9-11(2)29(23,24)16-12(13)10-15(28-16)30(17,25)26/h10-11,13H,3-9H2,1-2H3,(H2,17,25,26)/t11-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					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	PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Aromatase inhibitor potency as iron-binding-related type II difference spectrum				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598724 (CHEMBL5170592) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107813 ((S)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...) Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r| Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107808 (6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic ...) Show SMILES Cc1cccc(C(=O)Nc2ccc3C[C@H](Cc3c2)NS(=O)(=O)c2cccs2)c1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H23F3N2O3S2/c1-17-4-2-5-24(26(17)18-7-10-21(11-8-18)28(29,30)31)27(34)32-22-12-9-19-14-23(16-20(19)15-22)33-38(35,36)25-6-3-13-37-25/h2-13,15,23,33H,14,16H2,1H3,(H,32,34)/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107774 (4,6-Dimethyl-4'-trifluoromethyl-biphenyl-2-carboxy...) Show SMILES Cc1cc(C)c(-c2ccc(cc2)C(F)(F)F)c(c1)C(=O)Nc1ccc2C[C@H](Cc2c1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C29H25F3N2O3S2/c1-17-12-18(2)27(19-5-8-22(9-6-19)29(30,31)32)25(13-17)28(35)33-23-10-7-20-14-24(16-21(20)15-23)34-39(36,37)26-4-3-11-38-26/h3-13,15,24,34H,14,16H2,1-2H3,(H,33,35)/t24-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107809 (CHEMBL143284 | {5-[(4,6-Dimethyl-4'-trifluoromethy...) Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 Show InChI InChI=1S/C27H25F3N2O3/c1-15-10-16(2)24(17-4-7-20(8-5-17)27(28,29)30)23(11-15)25(33)31-21-9-6-18-12-22(14-19(18)13-21)32-26(34)35-3/h4-11,13,22H,12,14H2,1-3H3,(H,31,33)(H,32,34)/t22-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107797 (4'-Fluoro-6-methyl-biphenyl-2-carboxylic acid (2-b...) Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(=O)(=O)c2ccccc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C29H25FN2O3S/c1-19-6-5-9-27(28(19)20-10-13-23(30)14-11-20)29(33)31-24-15-12-21-16-25(18-22(21)17-24)32-36(34,35)26-7-3-2-4-8-26/h2-15,17,25,32H,16,18H2,1H3,(H,31,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
					More data for this Ligand-Target Pair

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