Compile Data Set for Download or QSAR

Found 47184 hits with Last Name = 'rist'   

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
Gastrin-releasing peptide receptor (RAT)	BDBM50005601 (CHEMBL2369819) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H76N14O10/c1-32(2)22-44(50(61)74)68-55(79)45(23-33(3)4)69-56(80)47(26-38-29-62-31-64-38)71-57(81)48-27-39(30-72(48)58(82)36-16-10-7-11-17-36)66-51(75)34(5)65-54(78)46(25-37-28-63-42-19-13-12-18-40(37)42)70-53(77)43(20-21-49(60)73)67-52(76)41(59)24-35-14-8-6-9-15-35/h6-19,28-29,31-34,39,41,43-48,63H,20-27,30,59H2,1-5H3,(H2,60,73)(H2,61,74)(H,62,64)(H,65,78)(H,66,75)(H,67,76)(H,68,79)(H,69,80)(H,70,77)(H,71,81)/t34-,39-,41+,43-,44-,45-,46-,47-,48-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	>0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Universités Montpellier I & II Curated by ChEMBL					Assay Description In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.				J Med Chem 43: 2356-61 (2000) BindingDB Entry DOI: 10.7270/Q21J990K
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50408923 (CHEMBL2114155) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C52H72N14O10/c1-28(2)19-39(45(55)69)63-50(74)40(20-29(3)4)64-51(75)42(23-33-25-56-27-58-33)60-44(68)26-66-18-17-38(52(66)76)62-46(70)30(5)59-49(73)41(22-32-24-57-36-14-10-9-13-34(32)36)65-48(72)37(15-16-43(54)67)61-47(71)35(53)21-31-11-7-6-8-12-31/h6-14,24-25,27-30,35,37-42,57H,15-23,26,53H2,1-5H3,(H2,54,67)(H2,55,69)(H,56,58)(H,59,73)(H,60,68)(H,61,71)(H,62,70)(H,63,74)(H,64,75)(H,65,72)/t30-,35+,37-,38+,39-,40-,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Universités Montpellier I & II Curated by ChEMBL					Assay Description In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.				J Med Chem 43: 2356-61 (2000) BindingDB Entry DOI: 10.7270/Q21J990K
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM22925 ((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17| Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nM				J Med Chem 37: 201-5 (1994) BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50434903 (CHEMBL2385223) Show SMILES CC(C(=O)NCc1ccc(nc1OCc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C24H23F4N3O4S/c1-15(17-8-10-20(19(25)12-17)31-36(2,33)34)22(32)29-13-18-9-11-21(24(26,27)28)30-23(18)35-14-16-6-4-3-5-7-16/h3-12,15,31H,13-14H2,1-2H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-arachidonoyldopamine-induced activity after 5 mins by FLIPR a...				Eur J Med Chem 64: 589-602 (2013) Article DOI: 10.1016/j.ejmech.2013.04.003 BindingDB Entry DOI: 10.7270/Q2BZ67FC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50016460 ((S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-prop...) Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.00280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration of the compound inhibiting dihydrofolate reductase derived from L1210 cells				J Med Chem 33: 212-5 (1990) BindingDB Entry DOI: 10.7270/Q2FX78FR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50405400 (CHEMBL2051987) Show SMILES C[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H23N7O5/c1-10(8-13-9-24-18-16(25-13)17(22)27-21(23)28-18)11-2-4-12(5-3-11)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9-10,14H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)/t10-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50405400 (CHEMBL2051987) Show SMILES C[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H23N7O5/c1-10(8-13-9-24-18-16(25-13)17(22)27-21(23)28-18)11-2-4-12(5-3-11)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9-10,14H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)/t10-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50010932 ((10-DA, 10-Deazaminopterin)2-{4-[2-(2,4-Diamino-pt...) Show SMILES Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H21N7O5/c21-16-15-17(27-20(22)26-16)23-9-12(24-15)6-3-10-1-4-11(5-2-10)18(30)25-13(19(31)32)7-8-14(28)29/h1-2,4-5,9,13H,3,6-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.00340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration of the compound inhibiting dihydrofolate reductase derived from L1210 cells				J Med Chem 33: 212-5 (1990) BindingDB Entry DOI: 10.7270/Q2FX78FR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50226274 (CHEMBL3349020) Show SMILES CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50014707 (2-{4-[2-(2,4-Diamino-pteridin-6-yl)-propyl]-benzoy...) Show SMILES CC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C21H23N7O5/c1-10(14-9-24-18-16(25-14)17(22)27-21(23)28-18)8-11-2-4-12(5-3-11)19(31)26-13(20(32)33)6-7-15(29)30/h2-5,9-10,13H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration of the compound inhibiting dihydrofolate reductase derived from L1210 cells				J Med Chem 33: 212-5 (1990) BindingDB Entry DOI: 10.7270/Q2FX78FR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50014706 (2-{4-[2-(2,4-Diamino-pteridin-6-yl)-butyl]-benzoyl...) Show SMILES CCC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C22H25N7O5/c1-2-12(15-10-25-19-17(26-15)18(23)28-22(24)29-19)9-11-3-5-13(6-4-11)20(32)27-14(21(33)34)7-8-16(30)31/h3-6,10,12,14H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration of the compound inhibiting Dihydrofolate reductase derived from L1210 cells				J Med Chem 33: 212-5 (1990) BindingDB Entry DOI: 10.7270/Q2FX78FR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of the dihydrofolate reductase enzyme(DHFR) derived from L1210 murine leukemia cells.				J Med Chem 35: 320-4 (1992) BindingDB Entry DOI: 10.7270/Q2WQ02RM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM554 (5-cyano-N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-ph...) Show SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33N3O5S/c1-3-16-31(17-15-22-9-6-5-7-10-22)19-27(35)29(30(36)39-31)26(4-2)24-11-8-12-25(18-24)34-40(37,38)28-14-13-23(20-32)21-33-28/h5-14,18,21,26,29,34H,3-4,15-17,19H2,1-2H3/t26-,29?,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00700	-63.0	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50008287 (2-{4-[2-(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-yl)-...) Show SMILES CC(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H24N6O5/c1-11(8-12-9-15-18(23)27-22(24)28-19(15)25-10-12)13-2-4-14(5-3-13)20(31)26-16(21(32)33)6-7-17(29)30/h2-5,9-11,16H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of the dihydrofolate reductase enzyme(DHFR) derived from L1210 murine leukemia cells.				J Med Chem 35: 320-4 (1992) BindingDB Entry DOI: 10.7270/Q2WQ02RM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50008287 (2-{4-[2-(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-yl)-...) Show SMILES CC(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H24N6O5/c1-11(8-12-9-15-18(23)27-22(24)28-19(15)25-10-12)13-2-4-14(5-3-13)20(31)26-16(21(32)33)6-7-17(29)30/h2-5,9-11,16H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM558 (N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,28,36H,3-4,15-17,19H2,1-2H3/t25-,28?,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.00800	-62.7	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50007568 (1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...) Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]prozosin from hamster cloned alpha1b receptor				J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50007568 (1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...) Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]prozosin from hamster cloned alpha1b receptor				J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50398494 (CHEMBL2177429) Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-acetyldopamine-induced activity after 5 mins by FLIPR assay				Bioorg Med Chem 21: 6657-64 (2013) Article DOI: 10.1016/j.bmc.2013.08.015 BindingDB Entry DOI: 10.7270/Q26Q1ZPN
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taros Chemicals GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of BCL-2 (unknown origin) by fluorescence polarization assay				Eur J Med Chem 167: 76-95 (2019) Article DOI: 10.1016/j.ejmech.2019.01.084 BindingDB Entry DOI: 10.7270/Q2HH6PDC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50398494 (CHEMBL2177429) Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-acetyldopamine-induced activity after 5 mins by FLIPR assay				J Med Chem 55: 8392-408 (2012) Article DOI: 10.1021/jm300780p BindingDB Entry DOI: 10.7270/Q2TX3GH1
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101499 (CHEMBL74040 | N*1*-(2-Cyclohexyl-1-{2-[2-(4-sulfam...) Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C34H49N5O7S/c1-24-10-12-25(13-11-24)8-5-9-28(23-32(41)39-44)33(42)38-30(22-27-6-3-2-4-7-27)34(43)37-21-19-31(40)36-20-18-26-14-16-29(17-15-26)47(35,45)46/h10-17,27-28,30,44H,2-9,18-23H2,1H3,(H,36,40)(H,37,43)(H,38,42)(H,39,41)(H2,35,45,46)/t28-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101505 (3-(3-{2-[5-(4-Chloro-phenyl)-2-hydroxycarbamoylmet...) Show SMILES COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Show InChI InChI=1S/C29H43ClN4O7/c1-41-27(37)15-17-31-25(35)14-16-32-29(39)24(18-21-6-3-2-4-7-21)33-28(38)22(19-26(36)34-40)9-5-8-20-10-12-23(30)13-11-20/h10-13,21-22,24,40H,2-9,14-19H2,1H3,(H,31,35)(H,32,39)(H,33,38)(H,34,36)/t22-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101508 (2-[3-(4-Chloro-phenyl)-propyl]-N*1*-(2-cyclohexyl-...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCNS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H49ClN6O8S/c32-26-11-9-23(10-12-26)7-4-8-25(22-29(40)37-43)30(41)36-27(21-24-5-2-1-3-6-24)31(42)34-14-13-28(39)33-15-16-35-47(44,45)38-17-19-46-20-18-38/h9-12,24-25,27,35,43H,1-8,13-22H2,(H,33,39)(H,34,42)(H,36,41)(H,37,40)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101516 (3-(3-{2-[5-(4-Chloro-phenyl)-2-hydroxycarbamoylmet...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCC(O)=O Show InChI InChI=1S/C28H41ClN4O7/c29-22-11-9-19(10-12-22)7-4-8-21(18-25(35)33-40)27(38)32-23(17-20-5-2-1-3-6-20)28(39)31-15-13-24(34)30-16-14-26(36)37/h9-12,20-21,23,40H,1-8,13-18H2,(H,30,34)(H,31,39)(H,32,38)(H,33,35)(H,36,37)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101512 (CHEMBL306033 | N*1*-{2-Cyclohexyl-1-[2-(2-morpholi...) Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C32H51N5O6/c1-24-10-12-25(13-11-24)8-5-9-27(23-30(39)36-42)31(40)35-28(22-26-6-3-2-4-7-26)32(41)34-15-14-29(38)33-16-17-37-18-20-43-21-19-37/h10-13,26-28,42H,2-9,14-23H2,1H3,(H,33,38)(H,34,41)(H,35,40)(H,36,39)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101509 (CHEMBL306947 | N*1*-(2-Cyclohexyl-1-{2-[2-(morphol...) Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCNS(=O)(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C32H52N6O8S/c1-24-10-12-25(13-11-24)8-5-9-27(23-30(40)37-43)31(41)36-28(22-26-6-3-2-4-7-26)32(42)34-15-14-29(39)33-16-17-35-47(44,45)38-18-20-46-21-19-38/h10-13,26-28,35,43H,2-9,14-23H2,1H3,(H,33,39)(H,34,42)(H,36,41)(H,37,40)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50405401 (CHEMBL2051990) Show SMILES CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50008285 (2-{4-[1-(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylme...) Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C23H26N6O5/c1-2-13(9-12-10-16-19(24)28-23(25)29-20(16)26-11-12)14-3-5-15(6-4-14)21(32)27-17(22(33)34)7-8-18(30)31/h3-6,10-11,13,17H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,24,25,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of the dihydrofolate reductase enzyme(DHFR) derived from L1210 murine leukemia cells.				J Med Chem 35: 320-4 (1992) BindingDB Entry DOI: 10.7270/Q2WQ02RM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50008285 (2-{4-[1-(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylme...) Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C23H26N6O5/c1-2-13(9-12-10-16-19(24)28-23(25)29-20(16)26-11-12)14-3-5-15(6-4-14)21(32)27-17(22(33)34)7-8-18(30)31/h3-6,10-11,13,17H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,24,25,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50008286 (2-[4-(1,3-Diamino-7,8,9,10-tetrahydro-pyrimido[4,5...) Show SMILES Nc1nc(N)c2c3CCC(Cc3cnc2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C23H24N6O5/c24-19-18-15-6-5-13(9-14(15)10-26-20(18)29-23(25)28-19)11-1-3-12(4-2-11)21(32)27-16(22(33)34)7-8-17(30)31/h1-4,10,13,16H,5-9H2,(H,27,32)(H,30,31)(H,33,34)(H4,24,25,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of the dihydrofolate reductase enzyme(DHFR) derived from L1210 murine leukemia cells.				J Med Chem 35: 320-4 (1992) BindingDB Entry DOI: 10.7270/Q2WQ02RM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM557 (N-{3-[(1R)-1-[(6S)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,28,36H,3-4,15-17,19H2,1-2H3/t25-,28?,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0180	-60.7	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM391716 (N-[(2R)-3-(7-methyl-1H- | US10300056, Example 1 | ...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sosei Heptares Curated by ChEMBL					Assay Description Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...				J Med Chem 63: 7906-7920 (2020) Article DOI: 10.1021/acs.jmedchem.0c01003 BindingDB Entry DOI: 10.7270/Q2NK3JKR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101518 (2-[3-(4-Chloro-phenyl)-propyl]-N*1*-{2-cyclohexyl-...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCC(=O)N1CCOCC1 Show InChI InChI=1S/C32H48ClN5O7/c33-26-11-9-23(10-12-26)7-4-8-25(22-29(40)37-44)31(42)36-27(21-24-5-2-1-3-6-24)32(43)35-15-13-28(39)34-16-14-30(41)38-17-19-45-20-18-38/h9-12,24-25,27,44H,1-8,13-22H2,(H,34,39)(H,35,43)(H,36,42)(H,37,40)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101520 (CHEMBL77663 | N*1*-{2-Cyclohexyl-1-[2-(4-morpholin...) Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCCCN2CCOCC2)cc1 Show InChI InChI=1S/C34H55N5O6/c1-26-12-14-27(15-13-26)10-7-11-29(25-32(41)38-44)33(42)37-30(24-28-8-3-2-4-9-28)34(43)36-18-16-31(40)35-17-5-6-19-39-20-22-45-23-21-39/h12-15,28-30,44H,2-11,16-25H2,1H3,(H,35,40)(H,36,43)(H,37,42)(H,38,41)/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101504 (CHEMBL77057 | N*1*-{2-Cyclohexyl-1-[2-(4-dimethyla...) Show SMILES CN(C)CCCCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(C)cc1)CC(=O)NO Show InChI InChI=1S/C32H53N5O5/c1-24-14-16-25(17-15-24)12-9-13-27(23-30(39)36-42)31(40)35-28(22-26-10-5-4-6-11-26)32(41)34-20-18-29(38)33-19-7-8-21-37(2)3/h14-17,26-28,42H,4-13,18-23H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)(H,36,39)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate				J Med Chem 47: 5605-7 (2004) Article DOI: 10.1021/jm049503w BindingDB Entry DOI: 10.7270/Q25D8R9G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50061298 (CHEMBL3393837) Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2cnccc12)C(F)(F)F Show InChI InChI=1S/C23H24F3N5O/c1-15-8-11-31(12-9-15)21-17(5-6-20(30-21)23(24,25)26)14-28-22(32)29-19-4-2-3-16-13-27-10-7-18(16)19/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H2,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 assessed as inhibition of NADA-induced effect at 1 uM by FLIPR assay				Bioorg Med Chem Lett 25: 803-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.086 BindingDB Entry DOI: 10.7270/Q2JD4ZG3
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50049553 (CHEMBL2177428) Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activation by FLIPR assay				Bioorg Med Chem Lett 25: 2326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.04.024 BindingDB Entry DOI: 10.7270/Q2Z60QSC
					More data for this Ligand-Target Pair
Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM391716 (N-[(2R)-3-(7-methyl-1H- | US10300056, Example 1 | ...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...				US Patent US10888561 (2021) BindingDB Entry DOI: 10.7270/Q28S4T1X
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50073160 (CHEMBL3407762) Show SMILES CCCCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)Cl Show InChI InChI=1S/C21H25ClF3N3O4S/c1-4-5-10-32-20-15(7-9-18(27-20)21(22,24)25)12-26-19(29)13(2)14-6-8-17(16(23)11-14)28-33(3,30)31/h6-9,11,13,28H,4-5,10,12H2,1-3H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activity by FLIPR assay				Eur J Med Chem 93: 101-8 (2015) Article DOI: 10.1016/j.ejmech.2015.02.001 BindingDB Entry DOI: 10.7270/Q2N0188S
					More data for this Ligand-Target Pair
Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM391716 (N-[(2R)-3-(7-methyl-1H- | US10300056, Example 1 | ...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				Bioorg Med Chem Lett 18: 3641-5 (2008) BindingDB Entry DOI: 10.7270/Q2T155ZX
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50049553 (CHEMBL2177428) Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activity by FLIPR assay				Eur J Med Chem 93: 101-8 (2015) Article DOI: 10.1016/j.ejmech.2015.02.001 BindingDB Entry DOI: 10.7270/Q2N0188S
					More data for this Ligand-Target Pair
Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM391727 (N-[(2R)-1-({(2S)-3-{1-[2- | US10300056, Example 12...) Show SMILES CN(C)CCN1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...				US Patent US10888561 (2021) BindingDB Entry DOI: 10.7270/Q28S4T1X
					More data for this Ligand-Target Pair
Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM391727 (N-[(2R)-1-({(2S)-3-{1-[2- | US10300056, Example 12...) Show SMILES CN(C)CCN1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				Bioorg Med Chem Lett 18: 3641-5 (2008) BindingDB Entry DOI: 10.7270/Q2T155ZX
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50539955 (CHEMBL4638938) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C38H48N12O4/c1-25-21-26(22-27-24-42-46-33(25)27)23-31(44-37(53)49-15-9-29(10-16-49)50-32-6-4-12-41-34(32)45-38(50)54)35(51)43-30(5-2-3-11-39)36(52)48-19-17-47(18-20-48)28-7-13-40-14-8-28/h4,6-8,12-14,21-22,24,29-31H,2-3,5,9-11,15-20,23,39H2,1H3,(H,42,46)(H,43,51)(H,44,53)(H,41,45,54)/t30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sosei Heptares Curated by ChEMBL					Assay Description Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...				J Med Chem 63: 7906-7920 (2020) Article DOI: 10.1021/acs.jmedchem.0c01003 BindingDB Entry DOI: 10.7270/Q2NK3JKR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101511 (2-[3-(4-Chloro-phenyl)-propyl]-N*1*-(2-cyclohexyl-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(=O)NO)cc1 Show InChI InChI=1S/C33H46ClN5O7S/c34-27-13-9-23(10-14-27)7-4-8-26(22-31(41)39-44)32(42)38-29(21-25-5-2-1-3-6-25)33(43)37-20-18-30(40)36-19-17-24-11-15-28(16-12-24)47(35,45)46/h9-16,25-26,29,44H,1-8,17-22H2,(H,36,40)(H,37,43)(H,38,42)(H,39,41)(H2,35,45,46)/t26-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101495 ((R)-2-[3-(4-Chloro-phenyl)-propyl]-N*1*-((S)-2-cyc...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H40ClN3O4/c31-26-16-14-23(15-17-26)12-7-13-25(21-28(35)34-38)29(36)33-27(20-24-10-5-2-6-11-24)30(37)32-19-18-22-8-3-1-4-9-22/h1,3-4,8-9,14-17,24-25,27,38H,2,5-7,10-13,18-21H2,(H,32,37)(H,33,36)(H,34,35)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair

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