Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'selinger' and Initial = 'z'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50007965 (CHEMBL312194 | Tyr(psi)CH2O-Gly-Gly-Phe-Leu-NH2 | ...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)COC[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C28H39N5O6/c1-18(2)12-23(27(30)37)33-28(38)24(14-19-6-4-3-5-7-19)32-25(35)15-31-26(36)17-39-16-21(29)13-20-8-10-22(34)11-9-20/h3-11,18,21,23-24,34H,12-17,29H2,1-2H3,(H2,30,37)(H,31,36)(H,32,35)(H,33,38)/t21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50007965 (CHEMBL312194 | Tyr(psi)CH2O-Gly-Gly-Phe-Leu-NH2 | ...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)COC[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C28H39N5O6/c1-18(2)12-23(27(30)37)33-28(38)24(14-19-6-4-3-5-7-19)32-25(35)15-31-26(36)17-39-16-21(29)13-20-8-10-22(34)11-9-20/h3-11,18,21,23-24,34H,12-17,29H2,1-2H3,(H2,30,37)(H,31,36)(H,32,35)(H,33,38)/t21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50007966 (CHEMBL420022 | Tyr-Gly(psi)CH2O-Gly-PheLeu-NH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C28H39N5O6/c1-18(2)14-23(26(30)36)33-28(38)24(16-19-6-4-3-5-7-19)32-25(35)17-39-13-12-31-27(37)22(29)15-20-8-10-21(34)11-9-20/h3-11,18,22-24,34H,12-17,29H2,1-2H3,(H2,30,36)(H,31,37)(H,32,35)(H,33,38)/t22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50007966 (CHEMBL420022 | Tyr-Gly(psi)CH2O-Gly-PheLeu-NH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C28H39N5O6/c1-18(2)14-23(26(30)36)33-28(38)24(16-19-6-4-3-5-7-19)32-25(35)17-39-13-12-31-27(37)22(29)15-20-8-10-21(34)11-9-20/h3-11,18,22-24,34H,12-17,29H2,1-2H3,(H2,30,36)(H,31,37)(H,32,35)(H,33,38)/t22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50004434 (3-Acetylamino-N-[1-(1-{2-[1-{1-[1-(1-carbamoyl-2-p...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C56H72N10O17S/c1-4-6-17-39(50(73)64-45(30-48(70)71)54(77)62-41(49(57)72)26-33-14-9-8-10-15-33)60-52(75)43(28-35-31-58-38-19-12-11-16-37(35)38)65-55(78)46-20-13-25-66(46)56(79)40(18-7-5-2)61-51(74)42(63-53(76)44(29-47(68)69)59-32(3)67)27-34-21-23-36(24-22-34)83-84(80,81)82/h8-12,14-16,19,21-24,31,39-46,58H,4-7,13,17-18,20,25-30H2,1-3H3,(H2,57,72)(H,59,67)(H,60,75)(H,61,74)(H,62,77)(H,63,76)(H,64,73)(H,65,78)(H,68,69)(H,70,71)(H,80,81,82)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50004434 (3-Acetylamino-N-[1-(1-{2-[1-{1-[1-(1-carbamoyl-2-p...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C56H72N10O17S/c1-4-6-17-39(50(73)64-45(30-48(70)71)54(77)62-41(49(57)72)26-33-14-9-8-10-15-33)60-52(75)43(28-35-31-58-38-19-12-11-16-37(35)38)65-55(78)46-20-13-25-66(46)56(79)40(18-7-5-2)61-51(74)42(63-53(76)44(29-47(68)69)59-32(3)67)27-34-21-23-36(24-22-34)83-84(80,81)82/h8-12,14-16,19,21-24,31,39-46,58H,4-7,13,17-18,20,25-30H2,1-3H3,(H2,57,72)(H,59,67)(H,60,75)(H,61,74)(H,62,77)(H,63,76)(H,64,73)(H,65,78)(H,68,69)(H,70,71)(H,80,81,82)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50004436 (3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(49(72)63-44(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32)59-51(74)42(26-34-29-56-37-19-13-12-16-36(34)37)58-45(66)30-64(4)54(77)39(18-8-6-2)60-50(73)41(62-52(75)43(27-46(67)68)57-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,65)(H,58,66)(H,59,74)(H,60,73)(H,61,76)(H,62,75)(H,63,72)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50004436 (3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(49(72)63-44(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32)59-51(74)42(26-34-29-56-37-19-13-12-16-36(34)37)58-45(66)30-64(4)54(77)39(18-8-6-2)60-50(73)41(62-52(75)43(27-46(67)68)57-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,65)(H,58,66)(H,59,74)(H,60,73)(H,61,76)(H,62,75)(H,63,72)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50004437 (3-Acetylamino-N-[1-[1-({[1-(1-{[1-(1-carbamoyl-2-p...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-50(73)41(63-52(75)43(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-42(26-34-29-56-37-19-13-12-16-36(34)37)51(74)61-39(18-8-6-2)54(77)64(4)44(28-47(69)70)53(76)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,73)(H,61,74)(H,62,76)(H,63,75)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50004433 (3-Acetylamino-N-[1-[1-({[1-({1-[1-(1-carbamoyl-2-p...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-50(73)40(62-51(74)41(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-43(26-34-29-56-37-18-13-12-16-36(34)37)54(77)64(4)44(19-8-6-2)53(76)63-42(28-47(69)70)52(75)61-39(48(55)71)24-32-14-10-9-11-15-32/h9-16,18,20-23,29,38-44,56H,5-8,17,19,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,73)(H,61,75)(H,62,74)(H,63,76)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50004435 (3-Acetylamino-N-[1-{1-[({[1-{1-[1-(1-carbamoyl-2-p...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(59-51(74)41(62-52(75)42(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)64(4)44(26-34-29-56-37-19-13-12-16-36(34)37)54(77)60-39(18-8-6-2)50(73)63-43(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,74)(H,60,77)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	265	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50004439 (3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)N(C)C(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(61-53(76)44(25-33-20-22-35(23-21-33)81-82(78,79)80)64(4)54(77)43(28-47(69)70)58-31(3)65)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)51(74)60-39(18-8-6-2)50(73)63-42(27-46(67)68)52(75)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50004438 (3-Acetylamino-N-[1-[1-({[1-(1-{1-[(1-carbamoyl-2-p...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-51(74)40(62-53(76)42(27-46(67)68)58-31(3)65)24-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)52(75)61-39(18-8-6-2)50(73)63-43(28-47(69)70)54(77)64(4)44(48(55)71)25-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,75)(H,62,76)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50004440 (3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H68N10O17S/c1-4-6-16-37(59-50(73)40(62-52(75)42(26-45(66)67)57-30(3)64)24-32-19-21-34(22-20-32)80-81(77,78)79)48(71)56-29-44(65)58-41(25-33-28-55-36-18-12-11-15-35(33)36)51(74)60-38(17-7-5-2)49(72)63-43(27-46(68)69)53(76)61-39(47(54)70)23-31-13-9-8-10-14-31/h8-15,18-22,28,37-43,55H,4-7,16-17,23-27,29H2,1-3H3,(H2,54,70)(H,56,71)(H,57,64)(H,58,65)(H,59,73)(H,60,74)(H,61,76)(H,62,75)(H,63,72)(H,66,67)(H,68,69)(H,77,78,79)/t37-,38-,39-,40-,41-,42-,43-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50004433 (3-Acetylamino-N-[1-[1-({[1-({1-[1-(1-carbamoyl-2-p...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-50(73)40(62-51(74)41(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-43(26-34-29-56-37-18-13-12-16-36(34)37)54(77)64(4)44(19-8-6-2)53(76)63-42(28-47(69)70)52(75)61-39(48(55)71)24-32-14-10-9-11-15-32/h9-16,18,20-23,29,38-44,56H,5-8,17,19,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,73)(H,61,75)(H,62,74)(H,63,76)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50004437 (3-Acetylamino-N-[1-[1-({[1-(1-{[1-(1-carbamoyl-2-p...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-50(73)41(63-52(75)43(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-42(26-34-29-56-37-19-13-12-16-36(34)37)51(74)61-39(18-8-6-2)54(77)64(4)44(28-47(69)70)53(76)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,73)(H,61,74)(H,62,76)(H,63,75)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50004438 (3-Acetylamino-N-[1-[1-({[1-(1-{1-[(1-carbamoyl-2-p...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-51(74)40(62-53(76)42(27-46(67)68)58-31(3)65)24-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)52(75)61-39(18-8-6-2)50(73)63-43(28-47(69)70)54(77)64(4)44(48(55)71)25-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,75)(H,62,76)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50004440 (3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H68N10O17S/c1-4-6-16-37(59-50(73)40(62-52(75)42(26-45(66)67)57-30(3)64)24-32-19-21-34(22-20-32)80-81(77,78)79)48(71)56-29-44(65)58-41(25-33-28-55-36-18-12-11-15-35(33)36)51(74)60-38(17-7-5-2)49(72)63-43(27-46(68)69)53(76)61-39(47(54)70)23-31-13-9-8-10-14-31/h8-15,18-22,28,37-43,55H,4-7,16-17,23-27,29H2,1-3H3,(H2,54,70)(H,56,71)(H,57,64)(H,58,65)(H,59,73)(H,60,74)(H,61,76)(H,62,75)(H,63,72)(H,66,67)(H,68,69)(H,77,78,79)/t37-,38-,39-,40-,41-,42-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50004435 (3-Acetylamino-N-[1-{1-[({[1-{1-[1-(1-carbamoyl-2-p...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(59-51(74)41(62-52(75)42(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)64(4)44(26-34-29-56-37-19-13-12-16-36(34)37)54(77)60-39(18-8-6-2)50(73)63-43(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,74)(H,60,77)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50004439 (3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)N(C)C(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(61-53(76)44(25-33-20-22-35(23-21-33)81-82(78,79)80)64(4)54(77)43(28-47(69)70)58-31(3)65)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)51(74)60-39(18-8-6-2)50(73)63-42(27-46(67)68)52(75)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Hadassah-University Hospital Curated by ChEMBL					Assay Description In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype				J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50007962 (CHEMBL81919 | pGlu6-Phe-NMePhe-Gly-Leu-Met-NH2) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O Show InChI InChI=1S/C37H51N7O7S/c1-23(2)19-28(35(49)42-26(33(38)47)17-18-52-4)41-32(46)22-39-36(50)30(21-25-13-9-6-10-14-25)44(3)37(51)29(20-24-11-7-5-8-12-24)43-34(48)27-15-16-31(45)40-27/h5-14,23,26-30H,15-22H2,1-4H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,46)(H,42,49)(H,43,48)/t26-,27-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50007972 (CHEMBL311917 | pGlu6-Phe-Phe8(psi)CH2O-Gly-Leu-Met...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O Show InChI InChI=1S/C36H50N6O7S/c1-23(2)18-29(36(48)41-27(33(37)45)16-17-50-3)40-32(44)22-49-21-26(19-24-10-6-4-7-11-24)38-35(47)30(20-25-12-8-5-9-13-25)42-34(46)28-14-15-31(43)39-28/h4-13,23,26-30H,14-22H2,1-3H3,(H2,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,48)(H,42,46)/t26-,27-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50007963 (CHEMBL441061 | pGlu6-Phe-Phe-Gly-Leu-Met-NH2) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O Show InChI InChI=1S/C36H49N7O7S/c1-22(2)18-27(35(49)41-25(32(37)46)16-17-51-3)40-31(45)21-38-33(47)28(19-23-10-6-4-7-11-23)42-36(50)29(20-24-12-8-5-9-13-24)43-34(48)26-14-15-30(44)39-26/h4-13,22,25-29H,14-21H2,1-3H3,(H2,37,46)(H,38,47)(H,39,44)(H,40,45)(H,41,49)(H,42,50)(H,43,48)/t25-,26-,27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50007962 (CHEMBL81919 | pGlu6-Phe-NMePhe-Gly-Leu-Met-NH2) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O Show InChI InChI=1S/C37H51N7O7S/c1-23(2)19-28(35(49)42-26(33(38)47)17-18-52-4)41-32(46)22-39-36(50)30(21-25-13-9-6-10-14-25)44(3)37(51)29(20-24-11-7-5-8-12-24)43-34(48)27-15-16-31(45)40-27/h5-14,23,26-30H,15-22H2,1-4H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,46)(H,42,49)(H,43,48)/t26-,27-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective dose of the compound was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50452295 (CHEMBL2371799) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(N)=O Show InChI InChI=1S/C39H55N7O8S/c1-24(2)21-29(36(51)42-28(34(41)49)18-20-55-3)44-38(53)32-15-10-19-46(32)39(54)31(23-26-13-8-5-9-14-26)45-37(52)30(22-25-11-6-4-7-12-25)43-35(50)27(40)16-17-33(47)48/h4-9,11-14,24,27-32H,10,15-23,40H2,1-3H3,(H2,41,49)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H,47,48)/t27-,28-,29-,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for effective dose against muscular receptor in guinea pig ileum				J Med Chem 29: 1284-8 (1987) BindingDB Entry DOI: 10.7270/Q2930S56
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50016358 (4-Amino-4-{1-[1-({[1-(1-carbamoyl-3-methylsulfanyl...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(N)=O Show InChI InChI=1S/C36H51N7O8S/c1-22(2)18-27(35(50)41-26(32(38)47)16-17-52-3)40-30(44)21-39-34(49)28(19-23-10-6-4-7-11-23)43-36(51)29(20-24-12-8-5-9-13-24)42-33(48)25(37)14-15-31(45)46/h4-13,22,25-29H,14-21,37H2,1-3H3,(H2,38,47)(H,39,49)(H,40,44)(H,41,50)(H,42,48)(H,43,51)(H,45,46)/t25-,26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for effective dose against Neuronal receptor in guinea pig ileum				J Med Chem 29: 1284-8 (1987) BindingDB Entry DOI: 10.7270/Q2930S56
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50007972 (CHEMBL311917 | pGlu6-Phe-Phe8(psi)CH2O-Gly-Leu-Met...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O Show InChI InChI=1S/C36H50N6O7S/c1-23(2)18-29(36(48)41-27(33(37)45)16-17-50-3)40-32(44)22-49-21-26(19-24-10-6-4-7-11-24)38-35(47)30(20-25-12-8-5-9-13-25)42-34(46)28-14-15-31(43)39-28/h4-13,23,26-30H,14-22H2,1-3H3,(H2,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,48)(H,42,46)/t26-,27-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective dose of the compound was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50007963 (CHEMBL441061 | pGlu6-Phe-Phe-Gly-Leu-Met-NH2) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O Show InChI InChI=1S/C36H49N7O7S/c1-22(2)18-27(35(49)41-25(32(37)46)16-17-51-3)40-31(45)21-38-33(47)28(19-23-10-6-4-7-11-23)42-36(50)29(20-24-12-8-5-9-13-24)43-34(48)26-14-15-30(44)39-26/h4-13,22,25-29H,14-21H2,1-3H3,(H2,37,46)(H,38,47)(H,39,44)(H,40,45)(H,41,49)(H,42,50)(H,43,48)/t25-,26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective dose of the compound was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine				J Med Chem 34: 2430-8 (1991) BindingDB Entry DOI: 10.7270/Q2P55MFQ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50052515 ((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C45H67N11O8S/c1-29(2)25-34(42(62)53-32(40(46)60)20-24-65-3)52-39(59)28-56-23-12-22-49-37(57)18-10-19-38(58)51-33(17-11-21-50-45(47)48)41(61)54-35(26-30-13-6-4-7-14-30)43(63)55-36(44(56)64)27-31-15-8-5-9-16-31/h4-9,13-16,29,32-36H,10-12,17-28H2,1-3H3,(H2,46,60)(H,49,57)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,47,48,50)/t32-,33-,34-,35+,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50052516 ((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C48H73N11O8S/c1-32(2)28-37(45(65)56-35(43(49)63)23-27-68-3)55-42(62)31-59-26-13-5-4-12-24-52-40(60)21-14-22-41(61)54-36(20-15-25-53-48(50)51)44(64)57-38(29-33-16-8-6-9-17-33)46(66)58-39(47(59)67)30-34-18-10-7-11-19-34/h6-11,16-19,32,35-39H,4-5,12-15,20-31H2,1-3H3,(H2,49,63)(H,52,60)(H,54,61)(H,55,62)(H,56,65)(H,57,64)(H,58,66)(H4,50,51,53)/t35-,36-,37-,38+,39-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50052517 ((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C45H66N12O9S/c1-28(2)23-33(42(64)54-31(40(46)62)18-22-67-3)53-39(61)27-57-21-20-49-36(58)16-17-37(59)51-26-38(60)52-32(15-10-19-50-45(47)48)41(63)55-34(24-29-11-6-4-7-12-29)43(65)56-35(44(57)66)25-30-13-8-5-9-14-30/h4-9,11-14,28,31-35H,10,15-27H2,1-3H3,(H2,46,62)(H,49,58)(H,51,59)(H,52,60)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H4,47,48,50)/t31-,32-,33-,34+,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Rattus norvegicus)	BDBM50052518 ((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C43H63N11O8S/c1-27(2)23-32(40(60)51-30(38(44)58)18-22-63-3)50-37(57)26-54-21-20-47-35(55)16-17-36(56)49-31(15-10-19-48-43(45)46)39(59)52-33(24-28-11-6-4-7-12-28)41(61)53-34(42(54)62)25-29-13-8-5-9-14-29/h4-9,11-14,27,30-34H,10,15-26H2,1-3H3,(H2,44,58)(H,47,55)(H,49,56)(H,50,57)(H,51,60)(H,52,59)(H,53,61)(H4,45,46,48)/t30-,31-,32-,33+,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50052519 (CHEMBL265115 | Hexanedioic acid (1-{1-[1-((3-acety...) Show SMILES CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O Show InChI InChI=1S/C49H76N12O9S/c1-32(2)28-38(46(68)58-36(44(50)66)23-27-71-5)57-43(65)31-61(26-15-25-54-33(3)62)48(70)40(30-35-18-10-7-11-19-35)60-47(69)39(29-34-16-8-6-9-17-34)59-45(67)37(20-14-24-55-49(51)52)56-42(64)22-13-12-21-41(63)53-4/h6-11,16-19,32,36-40H,12-15,20-31H2,1-5H3,(H2,50,66)(H,53,63)(H,54,62)(H,56,64)(H,57,65)(H,58,68)(H,59,67)(H,60,69)(H4,51,52,55)/t36-,37-,38-,39-,40-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 2 in rat vas deferens(RVD)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Rattus norvegicus)	BDBM50052520 ((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C47H71N11O8S/c1-31(2)27-36(44(64)55-34(42(48)62)22-26-67-3)54-41(61)30-58-25-13-5-4-12-23-51-39(59)20-21-40(60)53-35(19-14-24-52-47(49)50)43(63)56-37(28-32-15-8-6-9-16-32)45(65)57-38(46(58)66)29-33-17-10-7-11-18-33/h6-11,15-18,31,34-38H,4-5,12-14,19-30H2,1-3H3,(H2,48,62)(H,51,59)(H,53,60)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H4,49,50,52)/t34-,35-,36-,37+,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50052518 ((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C43H63N11O8S/c1-27(2)23-32(40(60)51-30(38(44)58)18-22-63-3)50-37(57)26-54-21-20-47-35(55)16-17-36(56)49-31(15-10-19-48-43(45)46)39(59)52-33(24-28-11-6-4-7-12-28)41(61)53-34(42(54)62)25-29-13-8-5-9-14-29/h4-9,11-14,27,30-34H,10,15-26H2,1-3H3,(H2,44,58)(H,47,55)(H,49,56)(H,50,57)(H,51,60)(H,52,59)(H,53,61)(H4,45,46,48)/t30-,31-,32-,33+,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Rattus norvegicus)	BDBM50052519 (CHEMBL265115 | Hexanedioic acid (1-{1-[1-((3-acety...) Show SMILES CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O Show InChI InChI=1S/C49H76N12O9S/c1-32(2)28-38(46(68)58-36(44(50)66)23-27-71-5)57-43(65)31-61(26-15-25-54-33(3)62)48(70)40(30-35-18-10-7-11-19-35)60-47(69)39(29-34-16-8-6-9-17-34)59-45(67)37(20-14-24-55-49(51)52)56-42(64)22-13-12-21-41(63)53-4/h6-11,16-19,32,36-40H,12-15,20-31H2,1-5H3,(H2,50,66)(H,53,63)(H,54,62)(H,56,64)(H,57,65)(H,58,68)(H,59,67)(H,60,69)(H4,51,52,55)/t36-,37-,38-,39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Rattus norvegicus)	BDBM50052521 ((S)-2-{2-[{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guani...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(CCCN)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O Show InChI InChI=1S/C42H65N11O7S/c1-27(2)23-33(39(58)50-31(37(44)56)18-22-61-4)49-36(55)26-53(21-12-19-43)41(60)35(25-30-15-9-6-10-16-30)52-40(59)34(24-29-13-7-5-8-14-29)51-38(57)32(48-28(3)54)17-11-20-47-42(45)46/h5-10,13-16,27,31-35H,11-12,17-26,43H2,1-4H3,(H2,44,56)(H,48,54)(H,49,55)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,47)/t31-,32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50052522 ((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32-,33-,34+,35-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Rattus norvegicus)	BDBM50052523 ((R)-1-{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guanidino...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O Show InChI InChI=1S/C42H62N10O7S/c1-26(2)23-32(38(56)48-30(36(43)54)19-22-60-4)50-40(58)35-18-12-21-52(35)41(59)34(25-29-15-9-6-10-16-29)51-39(57)33(24-28-13-7-5-8-14-28)49-37(55)31(47-27(3)53)17-11-20-46-42(44)45/h5-10,13-16,26,30-35H,11-12,17-25H2,1-4H3,(H2,43,54)(H,47,53)(H,48,56)(H,49,55)(H,50,58)(H,51,57)(H4,44,45,46)/t30-,31-,32-,33-,34-,35+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50052516 ((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C48H73N11O8S/c1-32(2)28-37(45(65)56-35(43(49)63)23-27-68-3)55-42(62)31-59-26-13-5-4-12-24-52-40(60)21-14-22-41(61)54-36(20-15-25-53-48(50)51)44(64)57-38(29-33-16-8-6-9-17-33)46(66)58-39(47(59)67)30-34-18-10-7-11-19-34/h6-11,16-19,32,35-39H,4-5,12-15,20-31H2,1-3H3,(H2,49,63)(H,52,60)(H,54,61)(H,55,62)(H,56,65)(H,57,64)(H,58,66)(H4,50,51,53)/t35-,36-,37-,38+,39-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Rattus norvegicus)	BDBM50052522 ((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32-,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50052519 (CHEMBL265115 | Hexanedioic acid (1-{1-[1-((3-acety...) Show SMILES CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O Show InChI InChI=1S/C49H76N12O9S/c1-32(2)28-38(46(68)58-36(44(50)66)23-27-71-5)57-43(65)31-61(26-15-25-54-33(3)62)48(70)40(30-35-18-10-7-11-19-35)60-47(69)39(29-34-16-8-6-9-17-34)59-45(67)37(20-14-24-55-49(51)52)56-42(64)22-13-12-21-41(63)53-4/h6-11,16-19,32,36-40H,12-15,20-31H2,1-5H3,(H2,50,66)(H,53,63)(H,54,62)(H,56,64)(H,57,65)(H,58,68)(H,59,67)(H,60,69)(H4,51,52,55)/t36-,37-,38-,39-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50052525 ((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C46H69N11O8S/c1-30(2)26-35(43(63)54-33(41(47)61)21-25-66-3)53-40(60)29-57-24-13-23-50-38(58)19-10-11-20-39(59)52-34(18-12-22-51-46(48)49)42(62)55-36(27-31-14-6-4-7-15-31)44(64)56-37(45(57)65)28-32-16-8-5-9-17-32/h4-9,14-17,30,33-37H,10-13,18-29H2,1-3H3,(H2,47,61)(H,50,58)(H,52,59)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H4,48,49,51)/t33-,34-,35-,36+,37-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50052523 ((R)-1-{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guanidino...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O Show InChI InChI=1S/C42H62N10O7S/c1-26(2)23-32(38(56)48-30(36(43)54)19-22-60-4)50-40(58)35-18-12-21-52(35)41(59)34(25-29-15-9-6-10-16-29)51-39(57)33(24-28-13-7-5-8-14-28)49-37(55)31(47-27(3)53)17-11-20-46-42(44)45/h5-10,13-16,26,30-35H,11-12,17-25H2,1-4H3,(H2,43,54)(H,47,53)(H,48,56)(H,49,55)(H,50,58)(H,51,57)(H4,44,45,46)/t30-,31-,32-,33-,34-,35+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Rattus norvegicus)	BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50052523 ((R)-1-{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guanidino...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O Show InChI InChI=1S/C42H62N10O7S/c1-26(2)23-32(38(56)48-30(36(43)54)19-22-60-4)50-40(58)35-18-12-21-52(35)41(59)34(25-29-15-9-6-10-16-29)51-39(57)33(24-28-13-7-5-8-14-28)49-37(55)31(47-27(3)53)17-11-20-46-42(44)45/h5-10,13-16,26,30-35H,11-12,17-25H2,1-4H3,(H2,43,54)(H,47,53)(H,48,56)(H,49,55)(H,50,58)(H,51,57)(H4,44,45,46)/t30-,31-,32-,33-,34-,35+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair

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