Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'chapman' and Initial = 'kl'   

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
Cholecystokinin (GUINEA PIG)	BDBM50040671 (1-[5-(3-Aza-bicyclo[3.2.2]non-3-yl)-1-methyl-2-oxo...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |c:9,(7.22,-6.97,;7.67,-8.45,;6.69,-9.39,;5.36,-8.63,;4.02,-9.39,;4.02,-10.93,;5.36,-11.69,;6.71,-10.96,;7.63,-11.85,;9.14,-11.6,;9.86,-10.19,;11.4,-10.21,;12.13,-11.53,;11.35,-12.86,;13.67,-11.57,;14.48,-10.26,;13.72,-8.91,;14.5,-7.6,;16.04,-7.62,;16.81,-8.95,;18.33,-8.98,;16.01,-10.29,;9.18,-8.72,;10.1,-7.49,;7.17,-13.34,;5.55,-13.5,;4.73,-14.54,;5.14,-16.05,;6.65,-16.64,;8.09,-15.8,;7.22,-14.74,;6.1,-14.2,;8.22,-14.23,)| Show InChI InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Cholecystokinin (GUINEA PIG)	BDBM82514 (1-[[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-[(hexahydro-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Cholecystokinin (GUINEA PIG)	BDBM50061220 (1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50040671 (1-[5-(3-Aza-bicyclo[3.2.2]non-3-yl)-1-methyl-2-oxo...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |c:9,(7.22,-6.97,;7.67,-8.45,;6.69,-9.39,;5.36,-8.63,;4.02,-9.39,;4.02,-10.93,;5.36,-11.69,;6.71,-10.96,;7.63,-11.85,;9.14,-11.6,;9.86,-10.19,;11.4,-10.21,;12.13,-11.53,;11.35,-12.86,;13.67,-11.57,;14.48,-10.26,;13.72,-8.91,;14.5,-7.6,;16.04,-7.62,;16.81,-8.95,;18.33,-8.98,;16.01,-10.29,;9.18,-8.72,;10.1,-7.49,;7.17,-13.34,;5.55,-13.5,;4.73,-14.54,;5.14,-16.05,;6.65,-16.64,;8.09,-15.8,;7.22,-14.74,;6.1,-14.2,;8.22,-14.23,)| Show InChI InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM82514 (1-[[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-[(hexahydro-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50454480 (CHEMBL2093059) Show SMILES CN(c1nn[nH]n1)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 |t:18| Show InChI InChI=1S/C25H29N9O2/c1-33(24-29-31-32-30-24)18-12-8-11-17(15-18)26-25(36)28-22-23(35)34(2)20-14-7-6-13-19(20)21(27-22)16-9-4-3-5-10-16/h6-8,11-16,22H,3-5,9-10H2,1-2H3,(H2,26,28,36)(H,29,30,31,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0540	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50454481 (CHEMBL2110201) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)c(Nc3nn[nH]n3)c2)C1=O)C1CCCCC1 |c:9| Show InChI InChI=1S/C25H29N9O2/c1-15-12-13-17(14-19(15)27-24-30-32-33-31-24)26-25(36)29-22-23(35)34(2)20-11-7-6-10-18(20)21(28-22)16-8-4-3-5-9-16/h6-7,10-14,16,22H,3-5,8-9H2,1-2H3,(H2,26,29,36)(H2,27,30,31,32,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0740	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059319 (1-[(R)-5-(3-Aza-bicyclo[3.2.2]non-3-yl)-1-methyl-2...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |wD:10.11,c:9,(-1.99,-1.96,;-1.66,-3.47,;-2.84,-4.41,;-4.17,-3.64,;-5.52,-4.43,;-5.52,-5.95,;-4.17,-6.72,;-2.84,-5.95,;-1.66,-6.91,;-.15,-6.56,;.51,-5.2,;2.05,-5.21,;2.83,-3.88,;2.06,-2.55,;4.37,-3.89,;5.14,-2.55,;6.71,-2.55,;7.48,-1.22,;6.68,.13,;5.14,.13,;4.41,1.5,;4.37,-1.22,;-.15,-3.8,;.81,-2.6,;-1.85,-8.42,;-3.34,-8.83,;-3.98,-9.96,;-3.36,-11.34,;-1.82,-11.66,;-.6,-10.63,;-2.5,-11.08,;-2.5,-9.54,;-.71,-9.12,)| Show InChI InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)/t18?,19?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049783 (1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc3CCN(c4nnn[nH]4)c3c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C26H23N9O2/c1-34-20-10-6-5-9-19(20)22(17-7-3-2-4-8-17)28-23(24(34)36)29-26(37)27-18-12-11-16-13-14-35(21(16)15-18)25-30-32-33-31-25/h2-12,15,23H,13-14H2,1H3,(H2,27,29,37)(H,30,31,32,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049789 (1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(Nc3nnn[nH]3)c2)C1=O)C1CCCCC1 |c:9| Show InChI InChI=1S/C24H27N9O2/c1-33-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)27-21(22(33)34)28-24(35)26-17-11-7-10-16(14-17)25-23-29-31-32-30-23/h5-7,10-15,21H,2-4,8-9H2,1H3,(H2,26,28,35)(H2,25,29,30,31,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50040666 (1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)C1CCCCC1 |c:9| Show InChI InChI=1S/C24H28N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h6-9,12-15,17,22H,3-5,10-11H2,1-2H3,(H2,25,27,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50454482 (CHEMBL2110202) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)C1=O)C1CCCCC1 |c:9| Show InChI InChI=1S/C25H29N9O2/c1-34-20-13-6-5-12-19(20)21(17-9-3-2-4-10-17)28-22(23(34)35)29-25(36)27-18-11-7-8-16(14-18)15-26-24-30-32-33-31-24/h5-8,11-14,17,22H,2-4,9-10,15H2,1H3,(H2,27,29,36)(H2,26,30,31,32,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049785 (1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-...) Show SMILES CN(c1nnn[nH]1)c1cc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)ccc1C |t:16| Show InChI InChI=1S/C26H31N9O2/c1-16-13-14-18(15-21(16)35(3)25-30-32-33-31-25)27-26(37)29-23-24(36)34(2)20-12-8-7-11-19(20)22(28-23)17-9-5-4-6-10-17/h7-8,11-15,17,23H,4-6,9-10H2,1-3H3,(H2,27,29,37)(H,30,31,32,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000040 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50043493 (CHEMBL313813 | N,N-Diethyl-2-[2-oxo-5-pyridin-2-yl...) Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1 |c:16| Show InChI InChI=1S/C28H30N6O3/c1-4-33(5-2)24(35)18-34-23-15-7-6-13-21(23)25(22-14-8-9-16-29-22)31-26(27(34)36)32-28(37)30-20-12-10-11-19(3)17-20/h6-17,26H,4-5,18H2,1-3H3,(H2,30,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049786 (1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN(c1nnn[nH]1)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |t:18| Show InChI InChI=1S/C25H23N9O2/c1-33(24-29-31-32-30-24)18-12-8-11-17(15-18)26-25(36)28-22-23(35)34(2)20-14-7-6-13-19(20)21(27-22)16-9-4-3-5-10-16/h3-15,22H,1-2H3,(H2,26,28,36)(H,29,30,31,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286602 ((2S,4S)-Piperidine-1,2,4-tricarboxylic acid 1-[(3-...) Show SMILES COc1ccccc1CN(C)CCNC(=O)[C@@H]1C[C@H](CCN1C(=O)N(c1ccccc1)c1cccc(Cl)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C45H48ClN5O4/c1-48(33-37-19-12-13-24-42(37)55-2)28-26-47-43(52)41-29-36(44(53)49(31-34-15-6-3-7-16-34)32-35-17-8-4-9-18-35)25-27-50(41)45(54)51(39-21-10-5-11-22-39)40-23-14-20-38(46)30-40/h3-24,30,36,41H,25-29,31-33H2,1-2H3,(H,47,52)/t36-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049788 (1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)c(Nc3nnn[nH]3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C25H23N9O2/c1-15-12-13-17(14-19(15)27-24-30-32-33-31-24)26-25(36)29-22-23(35)34(2)20-11-7-6-10-18(20)21(28-22)16-8-4-3-5-9-16/h3-14,22H,1-2H3,(H2,26,29,36)(H2,27,30,31,32,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059320 (1-[(R)-5-((R)-4,4-Dimethyl-piperidin-2-yl)-2-oxo-1...) Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc3CCCc3c2)C1=O)[C@H]1CC(C)(C)CCN1 |c:11| Show InChI InChI=1S/C29H37N5O2/c1-4-16-34-24-11-6-5-10-22(24)25(23-18-29(2,3)14-15-30-23)32-26(27(34)35)33-28(36)31-21-13-12-19-8-7-9-20(19)17-21/h5-6,10-13,17,23,26,30H,4,7-9,14-16,18H2,1-3H3,(H2,31,33,36)/t23-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50040664 (1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-ben...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286596 ((2S,4S)-Piperidine-1,2,4-tricarboxylic acid 1-[(3-...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCN(C)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C41H56ClN5O4/c1-5-7-14-25-45(26-15-8-6-2)40(49)32-23-27-46(41(50)47(35-19-10-9-11-20-35)36-21-16-18-34(42)30-36)37(29-32)39(48)43-24-28-44(3)31-33-17-12-13-22-38(33)51-4/h9-13,16-22,30,32,37H,5-8,14-15,23-29,31H2,1-4H3,(H,43,48)/t32-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059327 (1-[(R)-5-((R)-4,4-Dimethyl-piperidin-2-yl)-2-oxo-1...) Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CC(C)(C)CCN1 |c:11| Show InChI InChI=1S/C27H35N5O2/c1-5-15-32-22-12-7-6-11-20(22)23(21-17-27(3,4)13-14-28-21)30-24(25(32)33)31-26(34)29-19-10-8-9-18(2)16-19/h6-12,16,21,24,28H,5,13-15,17H2,1-4H3,(H2,29,31,34)/t21-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286595 ((2S,4S)-Piperidine-1,2,4-tricarboxylic acid 4-dipe...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCN(C)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C41H57N5O4/c1-5-7-17-27-44(28-18-8-6-2)40(48)33-25-29-45(41(49)46(35-20-11-9-12-21-35)36-22-13-10-14-23-36)37(31-33)39(47)42-26-30-43(3)32-34-19-15-16-24-38(34)50-4/h9-16,19-24,33,37H,5-8,17-18,25-32H2,1-4H3,(H,42,47)/t33-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286598 ((2S,4S)-Piperidine-1,2,4-tricarboxylic acid 2-({2-...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCN(CC(N)=O)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C42H58N6O5/c1-4-6-16-26-46(27-17-7-5-2)41(51)33-24-28-47(42(52)48(35-19-10-8-11-20-35)36-21-12-9-13-22-36)37(30-33)40(50)44-25-29-45(32-39(43)49)31-34-18-14-15-23-38(34)53-3/h8-15,18-23,33,37H,4-7,16-17,24-32H2,1-3H3,(H2,43,49)(H,44,50)/t33-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286600 (CHEMBL357757 | Carbamoylmethyl-[2-({(2S,4S)-1-[(3-...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCN(CC(N)=O)C(=O)OCc1ccccc1)C(=O)N(c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C42H55ClN6O6/c1-3-5-13-24-46(25-14-6-4-2)40(52)33-22-26-48(41(53)49(35-19-11-8-12-20-35)36-21-15-18-34(43)29-36)37(28-33)39(51)45-23-27-47(30-38(44)50)42(54)55-31-32-16-9-7-10-17-32/h7-12,15-21,29,33,37H,3-6,13-14,22-28,30-31H2,1-2H3,(H2,44,50)(H,45,51)/t33-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059325 (1-[(R)-5-((R)-4,4-Dimethyl-piperidin-2-yl)-1-methy...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc3CCCc3c2)C1=O)[C@H]1CC(C)(C)CCN1 |c:9| Show InChI InChI=1S/C27H33N5O2/c1-27(2)13-14-28-21(16-27)23-20-9-4-5-10-22(20)32(3)25(33)24(30-23)31-26(34)29-19-12-11-17-7-6-8-18(17)15-19/h4-5,9-12,15,21,24,28H,6-8,13-14,16H2,1-3H3,(H2,29,31,34)/t21-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286597 ((2S,4S)-Piperidine-1,2,4-tricarboxylic acid 2-{[2-...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCNCC(N)=O)C(=O)N(c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C34H49ClN6O4/c1-3-5-10-20-39(21-11-6-4-2)33(44)26-17-22-40(30(23-26)32(43)38-19-18-37-25-31(36)42)34(45)41(28-14-8-7-9-15-28)29-16-12-13-27(35)24-29/h7-9,12-16,24,26,30,37H,3-6,10-11,17-23,25H2,1-2H3,(H2,36,42)(H,38,43)/t26-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286592 ((2S,4S)-Piperidine-1,2,4-tricarboxylic acid 2-({2-...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCN(CC(N)=O)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C42H57ClN6O5/c1-4-6-13-24-47(25-14-7-5-2)41(52)32-22-26-48(42(53)49(35-18-9-8-10-19-35)36-20-15-17-34(43)29-36)37(28-32)40(51)45-23-27-46(31-39(44)50)30-33-16-11-12-21-38(33)54-3/h8-12,15-21,29,32,37H,4-7,13-14,22-28,30-31H2,1-3H3,(H2,44,50)(H,45,51)/t32-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286601 ((2S,4S)-Piperidine-1,2,4-tricarboxylic acid 2-[(3-...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCCN(CC)CC)C(=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C37H57N5O3/c1-5-9-17-27-40(28-18-10-6-2)36(44)31-24-29-41(34(30-31)35(43)38-25-19-26-39(7-3)8-4)37(45)42(32-20-13-11-14-21-32)33-22-15-12-16-23-33/h11-16,20-23,31,34H,5-10,17-19,24-30H2,1-4H3,(H,38,43)/t31-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049790 (1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(Nc3nnn[nH]3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H21N9O2/c1-33-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)27-21(22(33)34)28-24(35)26-17-11-7-10-16(14-17)25-23-29-31-32-30-23/h2-14,21H,1H3,(H2,26,28,35)(H2,25,29,30,31,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049784 (1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CNc3nnn[nH]3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C25H23N9O2/c1-34-20-13-6-5-12-19(20)21(17-9-3-2-4-10-17)28-22(23(34)35)29-25(36)27-18-11-7-8-16(14-18)15-26-24-30-32-33-31-24/h2-14,22H,15H2,1H3,(H2,27,29,36)(H2,26,30,31,32,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286605 ((S)-Piperazine-1,2,4-tricarboxylic acid 1-[(3-chlo...) Show SMILES CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCCN(CC)CC)C(=O)N(c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C36H55ClN6O3/c1-5-9-14-24-40(25-15-10-6-2)35(45)41-26-27-42(33(29-41)34(44)38-22-17-23-39(7-3)8-4)36(46)43(31-19-12-11-13-20-31)32-21-16-18-30(37)28-32/h11-13,16,18-21,28,33H,5-10,14-15,17,22-27,29H2,1-4H3,(H,38,44)/t33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50006878 ((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description The concentration of the compound required for half maximal inhibition of the binding to Cholecystokinin type B receptor (CCK-B) from guinea pigcorti...				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50006878 ((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50040664 (1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-ben...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type A receptor receptor from rat pancreatic tissue.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059326 (1-[(R)-5-((R)-5,5-Dimethyl-azepan-2-yl)-1-methyl-2...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CCC(C)(C)CCN1 |c:9| Show InChI InChI=1S/C26H33N5O2/c1-17-8-7-9-18(16-17)28-25(33)30-23-24(32)31(4)21-11-6-5-10-19(21)22(29-23)20-12-13-26(2,3)14-15-27-20/h5-11,16,20,23,27H,12-15H2,1-4H3,(H2,28,30,33)/t20-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286594 ((2S,4S)-Piperidine-1,2,4-tricarboxylic acid 2-{[2-...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCNCC(N)=O)C(=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H50N6O4/c1-3-5-13-22-38(23-14-6-4-2)33(43)27-19-24-39(30(25-27)32(42)37-21-20-36-26-31(35)41)34(44)40(28-15-9-7-10-16-28)29-17-11-8-12-18-29/h7-12,15-18,27,30,36H,3-6,13-14,19-26H2,1-2H3,(H2,35,41)(H,37,42)/t27-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059322 (1-[(R)-5-((R)-5,5-Dimethyl-azepan-2-yl)-2-oxo-1-pr...) Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CCC(C)(C)CCN1 |c:11| Show InChI InChI=1S/C28H37N5O2/c1-5-17-33-23-12-7-6-11-21(23)24(22-13-14-28(3,4)15-16-29-22)31-25(26(33)34)32-27(35)30-20-10-8-9-19(2)18-20/h6-12,18,22,25,29H,5,13-17H2,1-4H3,(H2,30,32,35)/t22-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059324 (2-[(R)-1-Diethylcarbamoylmethyl-2-oxo-3-(3-m-tolyl...) Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc[n+]1C |c:16| Show InChI InChI=1S/C29H32N6O3/c1-5-34(6-2)25(36)19-35-23-15-8-7-14-22(23)26(24-16-9-10-17-33(24)4)31-27(28(35)37)32-29(38)30-21-13-11-12-20(3)18-21/h7-18,27H,5-6,19H2,1-4H3,(H-,30,32,38)/p+1/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286604 ((2S,4S)-1-[(3-Chloro-phenyl)-phenyl-carbamoyl]-4-d...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(O)=O)C(=O)N(c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C30H40ClN3O4/c1-3-5-10-18-32(19-11-6-4-2)28(35)23-17-20-33(27(21-23)29(36)37)30(38)34(25-14-8-7-9-15-25)26-16-12-13-24(31)22-26/h7-9,12-16,22-23,27H,3-6,10-11,17-21H2,1-2H3,(H,36,37)/t23-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049787 (1-{4-Methyl-3-[methyl-(1H-tetrazol-5-yl)-amino]-ph...) Show SMILES CN(c1nnn[nH]1)c1cc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)ccc1C |t:16| Show InChI InChI=1S/C26H25N9O2/c1-16-13-14-18(15-21(16)35(3)25-30-32-33-31-25)27-26(37)29-23-24(36)34(2)20-12-8-7-11-19(20)22(28-23)17-9-5-4-6-10-17/h4-15,23H,1-3H3,(H2,27,29,37)(H,30,31,32,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059329 (1-[(R)-2-Oxo-1-propyl-5-((R)-1,5,5-trimethyl-azepa...) Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CCC(C)(C)CCN1C |c:11| Show InChI InChI=1S/C29H39N5O2/c1-6-17-34-23-13-8-7-12-22(23)25(24-14-15-29(3,4)16-18-33(24)5)31-26(27(34)35)32-28(36)30-21-11-9-10-20(2)19-21/h7-13,19,24,26H,6,14-18H2,1-5H3,(H2,30,32,36)/t24-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286603 ((2S,4S)-4-Dipentylcarbamoyl-1-diphenylcarbamoyl-pi...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H41N3O4/c1-3-5-13-20-31(21-14-6-4-2)28(34)24-19-22-32(27(23-24)29(35)36)30(37)33(25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-18,24,27H,3-6,13-14,19-23H2,1-2H3,(H,35,36)/t24-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059328 (1-((R)-2-Oxo-5-(R)-piperidin-2-yl-1-propyl-2,3-dih...) Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CCCCN1 |c:11| Show InChI InChI=1S/C25H31N5O2/c1-3-15-30-21-13-5-4-11-19(21)22(20-12-6-7-14-26-20)28-23(24(30)31)29-25(32)27-18-10-8-9-17(2)16-18/h4-5,8-11,13,16,20,23,26H,3,6-7,12,14-15H2,1-2H3,(H2,27,29,32)/t20-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50281187 ((S)-Piperazine-1,2,4-tricarboxylic acid 2-[(3-diet...) Show SMILES CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCCN(CC)CC)C(=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H56N6O3/c1-5-9-17-26-39(27-18-10-6-2)35(44)40-28-29-41(33(30-40)34(43)37-24-19-25-38(7-3)8-4)36(45)42(31-20-13-11-14-21-31)32-22-15-12-16-23-32/h11-16,20-23,33H,5-10,17-19,24-30H2,1-4H3,(H,37,43)/t33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059323 (1-((R)-2-Oxo-5-(S)-piperidin-2-yl-1-propyl-2,3-dih...) Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@@H]1CCCCN1 |c:11| Show InChI InChI=1S/C25H31N5O2/c1-3-15-30-21-13-5-4-11-19(21)22(20-12-6-7-14-26-20)28-23(24(30)31)29-25(32)27-18-10-8-9-17(2)16-18/h4-5,8-11,13,16,20,23,26H,3,6-7,12,14-15H2,1-2H3,(H2,27,29,32)/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50059321 (1-[(R)-5-((R)-1-Methyl-piperidin-2-yl)-2-oxo-1-pro...) Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CCCCN1C |c:11| Show InChI InChI=1S/C26H33N5O2/c1-4-15-31-21-13-6-5-12-20(21)23(22-14-7-8-16-30(22)3)28-24(25(31)32)29-26(33)27-19-11-9-10-18(2)17-19/h5-6,9-13,17,22,24H,4,7-8,14-16H2,1-3H3,(H2,27,29,33)/t22-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50043500 (1-(1-Methyl-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-be...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1 |c:9| Show InChI InChI=1S/C23H21N5O2/c1-15-8-7-9-16(14-15)25-23(30)27-21-22(29)28(2)19-12-4-3-10-17(19)20(26-21)18-11-5-6-13-24-18/h3-14,21H,1-2H3,(H2,25,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type A receptor receptor from rat pancreatic tissue.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50043500 (1-(1-Methyl-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-be...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1 |c:9| Show InChI InChI=1S/C23H21N5O2/c1-15-8-7-9-16(14-15)25-23(30)27-21-22(29)28(2)19-12-4-3-10-17(19)20(26-21)18-11-5-6-13-24-18/h3-14,21H,1-2H3,(H2,25,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286599 ((2S,4R)-Piperidine-1,2,4-tricarboxylic acid 4-dipe...) Show SMILES CCCCCN(CCCCC)C(=O)[C@@H]1CCN([C@@H](C1)C(=O)NCCN(C)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C41H57N5O4/c1-5-7-17-27-44(28-18-8-6-2)40(48)33-25-29-45(41(49)46(35-20-11-9-12-21-35)36-22-13-10-14-23-36)37(31-33)39(47)42-26-30-43(3)32-34-19-15-16-24-38(34)50-4/h9-16,19-24,33,37H,5-8,17-18,25-32H2,1-4H3,(H,42,47)/t33-,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells				Bioorg Med Chem Lett 5: 599-604 (1995) Article DOI: 10.1016/0960-894X(95)00080-D BindingDB Entry DOI: 10.7270/Q2GH9HZ9
					More data for this Ligand-Target Pair

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