Compile Data Set for Download or QSAR

Found 8543 hits with Last Name = 'laird' and Initial = 'e'   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203205 ((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203200 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203199 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50073839 (CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of recombinant matrix metalloprotease-3 (MMP-3)				Bioorg Med Chem Lett 9: 127-32 (1999) BindingDB Entry DOI: 10.7270/Q2JD4VZ4
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203211 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50073823 (CHEMBL24871 | {4-[((S)-1-Acetyl-pyrrolidine-2-carb...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of recombinant matrix metalloprotease-2 (MMP-2)				Bioorg Med Chem Lett 9: 127-32 (1999) BindingDB Entry DOI: 10.7270/Q2JD4VZ4
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203210 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...) Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203197 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203206 ((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES C[C@@H](NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C33H37N3O3S/c1-25(27-16-14-26(15-17-27)24-36-20-8-3-9-21-36)34-33(37)23-32(29-11-4-2-5-12-29)35-40(38,39)31-19-18-28-10-6-7-13-30(28)22-31/h2,4-7,10-19,22,25,32,35H,3,8-9,20-21,23-24H2,1H3,(H,34,37)/t25-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50073839 (CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of recombinant matrix metalloprotease-2 (MMP-2)				Bioorg Med Chem Lett 9: 127-32 (1999) BindingDB Entry DOI: 10.7270/Q2JD4VZ4
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203208 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50073823 (CHEMBL24871 | {4-[((S)-1-Acetyl-pyrrolidine-2-carb...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of recombinant matrix metalloprotease-3 (MMP-3)				Bioorg Med Chem Lett 9: 127-32 (1999) BindingDB Entry DOI: 10.7270/Q2JD4VZ4
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203202 ((R)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(naphthal...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)/t31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203203 ((S)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203207 (3-(RS)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(napht...) Show SMILES O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	382	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203204 ((S)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...) Show SMILES O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50203198 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50203208 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50203210 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...) Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50203197 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50203199 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50203211 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50203200 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50203207 (3-(RS)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(napht...) Show SMILES O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50203205 ((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203198 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.41E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25619 ((1Z)-5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]...) Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C18H16N4O/c1-22-11-16(18(20-22)12-6-8-19-9-7-12)14-2-4-15-13(10-14)3-5-17(15)21-23/h2,4,6-11,17H,3,5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	7.2	22
Array BioPharma					Assay Description Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...				Bioorg Med Chem Lett 18: 4692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.002 BindingDB Entry DOI: 10.7270/Q2NK3CBJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25636 ((1Z)-5-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyr...) Show SMILES O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCNCC1 Show InChI InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,21,24H,2,4,7-8,11-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	7.2	22
Array BioPharma					Assay Description Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...				Bioorg Med Chem Lett 18: 4692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.002 BindingDB Entry DOI: 10.7270/Q2NK3CBJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25625 ((1S,3R)-3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...) Show SMILES O[C@H]1CCC[C@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O |r| Show InChI InChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19+,22?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	7.2	22
Array BioPharma					Assay Description Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...				Bioorg Med Chem Lett 18: 4692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.002 BindingDB Entry DOI: 10.7270/Q2NK3CBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224846 (4-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...) Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)nc2)C(=O)N1 Show InChI InChI=1S/C28H20N6O5/c29-14-17-2-4-18(5-3-17)22-16-38-24(31-22)19-6-9-21(10-7-19)39-23-11-8-20(15-30-23)34-13-1-12-28(34)25(35)32-27(37)33-26(28)36/h2-11,15-16H,1,12-13H2,(H2,32,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25629 (3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...) Show SMILES OCCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C20H20N4O2/c25-11-1-10-24-13-18(20(22-24)14-6-8-21-9-7-14)16-2-4-17-15(12-16)3-5-19(17)23-26/h2,4,6-9,12-13,19,25H,1,3,5,10-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	7.2	22
Array BioPharma					Assay Description Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...				Bioorg Med Chem Lett 18: 4692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.002 BindingDB Entry DOI: 10.7270/Q2NK3CBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224838 (1-{6-[4-(6-fluoro-1H-benzoimidazol-2-yl)-phenoxy]-...) Show SMILES Fc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C25H19FN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(H2,30,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224842 (1-(6-{4-[4-(3-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...) Show SMILES Fc1cccc(c1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-18-4-1-3-17(13-18)21-15-37-23(30-21)16-5-8-20(9-6-16)38-22-10-7-19(14-29-22)33-12-2-11-27(33)24(34)31-26(36)32-25(27)35/h1,3-10,13-15H,2,11-12H2,(H2,31,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25626 ((1R,3R)-3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...) Show SMILES O[C@@H]1CCC[C@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O |r| Show InChI InChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19-,22?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.2	22
Array BioPharma					Assay Description Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...				Bioorg Med Chem Lett 18: 4692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.002 BindingDB Entry DOI: 10.7270/Q2NK3CBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224852 (1-{6-[4-(6-chloro-1H-benzoimidazol-2-yl)-phenoxy]-...) Show SMILES Clc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C25H19ClN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(H2,30,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224847 (3-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...) Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)nc2)C(=O)N1 Show InChI InChI=1S/C28H20N6O5/c29-14-17-3-1-4-19(13-17)22-16-38-24(31-22)18-5-8-21(9-6-18)39-23-10-7-20(15-30-23)34-12-2-11-28(34)25(35)32-27(37)33-26(28)36/h1,3-10,13,15-16H,2,11-12H2,(H2,32,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224856 (1-{6-[4-(1H-benzoimidazol-2-yl)-phenoxy]-pyridin-3...) Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc4ccccc4[nH]3)nc2)C(=O)N1 Show InChI InChI=1S/C25H20N6O4/c32-22-25(23(33)30-24(34)29-22)12-3-13-31(25)16-8-11-20(26-14-16)35-17-9-6-15(7-10-17)21-27-18-4-1-2-5-19(18)28-21/h1-2,4-11,14H,3,12-13H2,(H,27,28)(H2,29,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224837 (1-(6-{4-[4-(4-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...) Show SMILES Fc1ccc(cc1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-18-6-2-16(3-7-18)21-15-37-23(30-21)17-4-9-20(10-5-17)38-22-11-8-19(14-29-22)33-13-1-12-27(33)24(34)31-26(36)32-25(27)35/h2-11,14-15H,1,12-13H2,(H2,31,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25628 (2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...) Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.2	22
Array BioPharma					Assay Description Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...				Bioorg Med Chem Lett 18: 4692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.002 BindingDB Entry DOI: 10.7270/Q2NK3CBJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25618 ((1Z)-5-[3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihy...) Show SMILES O=NC1CCc2cc(ccc12)-c1c[nH]nc1-c1ccncc1 Show InChI InChI=1S/C17H14N4O/c22-21-16-4-2-12-9-13(1-3-14(12)16)15-10-19-20-17(15)11-5-7-18-8-6-11/h1,3,5-10,16H,2,4H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	7.2	22
Array BioPharma					Assay Description Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...				Bioorg Med Chem Lett 18: 4692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.002 BindingDB Entry DOI: 10.7270/Q2NK3CBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224857 (1-(6-{4-[4-(2-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...) Show SMILES Fc1ccccc1-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-20-5-2-1-4-19(20)21-15-37-23(30-21)16-6-9-18(10-7-16)38-22-11-8-17(14-29-22)33-13-3-12-27(33)24(34)31-26(36)32-25(27)35/h1-2,4-11,14-15H,3,12-13H2,(H2,31,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496954 (CHEMBL3236470) Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H17ClN4O4S/c1-3-8-29(26,27)23-17-7-5-15(20)18(14(17)10-21)28-12-4-6-16-13(9-12)19(25)24(2)11-22-16/h4-7,9,11,23H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484212 (CHEMBL1822264) Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccs4)c3F)cc12 Show InChI InChI=1S/C18H13F2N5O4S2/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
ArrayBioPharma Curated by ChEMBL					Assay Description Inhibition of full length B-Raf V600E mutant				Bioorg Med Chem Lett 21: 5533-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.097 BindingDB Entry DOI: 10.7270/Q28K7CX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496943 (CHEMBL3236471) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H17FN4O4S/c1-3-8-29(26,27)23-17-7-5-15(20)18(14(17)10-21)28-12-4-6-16-13(9-12)19(25)24(2)11-22-16/h4-7,9,11,23H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496941 (CHEMBL3236463) Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H18ClN5O3S/c1-3-8-29(27,28)24-17-7-5-15(20)18(14(17)10-21)23-12-4-6-16-13(9-12)19(26)25(2)11-22-16/h4-7,9,11,23-24H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25638 ((1Z)-5-[1-(oxan-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-...) Show SMILES O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCOCC1 Show InChI InChI=1S/C22H22N4O2/c27-25-21-4-2-16-13-17(1-3-19(16)21)20-14-26(18-7-11-28-12-8-18)24-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,21H,2,4,7-8,11-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.2	22
Array BioPharma					Assay Description Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...				Bioorg Med Chem Lett 18: 4692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.002 BindingDB Entry DOI: 10.7270/Q2NK3CBJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25641 (3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...) Show SMILES CNC1CCCC(C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C24H27N5O/c1-25-19-3-2-4-20(14-19)29-15-22(24(27-29)16-9-11-26-12-10-16)18-5-7-21-17(13-18)6-8-23(21)28-30/h5,7,9-13,15,19-20,23,25H,2-4,6,8,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.2	22
Array BioPharma					Assay Description Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...				Bioorg Med Chem Lett 18: 4692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.002 BindingDB Entry DOI: 10.7270/Q2NK3CBJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496948 (CHEMBL3236472) Show SMILES CCCS(=O)(=O)Nc1cccc(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H18N4O4S/c1-3-9-28(25,26)22-17-5-4-6-18(15(17)11-20)27-13-7-8-16-14(10-13)19(24)23(2)12-21-16/h4-8,10,12,22H,3,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496946 (CHEMBL3236464) Show SMILES CCCS(=O)(=O)Nc1cccc(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25624 ((1R,2R)-2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...) Show SMILES O[C@@H]1CCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O |r| Show InChI InChI=1S/C22H22N4O2/c27-21-3-1-2-20(21)26-13-18(22(24-26)14-8-10-23-11-9-14)16-4-6-17-15(12-16)5-7-19(17)25-28/h4,6,8-13,19-21,27H,1-3,5,7H2/t19?,20-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	7.2	22
Array BioPharma					Assay Description Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...				Bioorg Med Chem Lett 18: 4692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.002 BindingDB Entry DOI: 10.7270/Q2NK3CBJ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 8543 total )  |  Next  |  Last  >>

Jump to: